Molecule FYI-1014553

A

Molecule Summary:

ID: FYI-1014553
Names:
InChIKey: KXUJMYRCPXKQFP-UHFFFAOYSA-N
SMILES: c1ccccc1.C=C(CC)N(CC(C)(C)C)C1CCC(C)(C)C1

Received at FYIcenter.com on: 2025-04-27

Molecule ID: FYI-1014553 Edit

Molecule Structure InChIKey: KXUJMYRCPXKQFP-UHFFFAOYSA-N

Molecule Structure SMILES String: c1ccccc1.C=C(CC)N(CC(C)(C)C)C1CCC(C)(C)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1014553
FYIcenter.com

 23 23  0  0  0  0  0  0  0  0999 V2000
    9.8981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6856    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6856    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8981    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5507   12.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4181   13.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2910   13.6184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   14.9878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 18 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014553-3D
FYIcenter.com

 60 60  0  0  1  0  0  0  0  0999 V2000
    0.1663   -1.4812   -0.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7274   -2.5290   -0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -2.3689   -0.4402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4972   -1.1555    0.1042 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1335    0.9222    1.9895 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8919    0.5615    0.9441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2944   -0.9150    0.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840   -1.2800    1.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-05-12, 429👍, 0💬