Molecule FYI-1003236

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A

Molecule Summary:

ID: FYI-1003236
Names:
InChIKey: LALRXNPLTWZJIJ-UHFFFAOYSA-N
SMILES: CCB(CC)CC

Received at FYIcenter.com on: 2023-05-26

Molecule ID: FYI-1003236 Edit

Molecule Structure InChIKey: LALRXNPLTWZJIJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCB(CC)CC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003236
FYIcenter.com

  7  6  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003236-3D
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    1.0380    0.1390    0.2289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5388   -0.0830    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9519   -1.2036   -1.0112 B   0  0  0  0  0  0  0  0  0  0  0  0
    1.8805   -2.0359   -1.8846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0049   -3.5397   -1.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5216   -1.4721   -1.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9729   -1.1855   -2.6380 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8641    0.9315    0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5421   -0.7921    0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5881    0.4713   -0.7314 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9578   -0.3804    1.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0064    0.8760   -0.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502   -1.8185   -2.9594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8445   -1.7308   -1.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0132   -3.9012   -1.9487 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2547   -4.0705   -2.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8181   -3.7889   -0.5899 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7505   -2.5274   -0.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0918   -0.8150   -0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4580   -1.8582   -3.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0666   -1.3612   -2.7196 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7632   -0.1283   -2.9067 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1994👍, 0💬