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1-(4-Chlorobenzoyl)-2-cyclohexylaminocyclopentene

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-(4-Chlorobenzoyl)-2-cyclohexylaminocyclopentene
SpectraBase Compound ID 6LciHOJFXR0
InChI InChI=1S/C18H22ClNO/c19-14-11-9-13(10-12-14)18(21)16-7-4-8-17(16)20-15-5-2-1-3-6-15/h9-12,15,20H,1-8H2
InChIKey NPNSDOUQURGWDL-UHFFFAOYSA-N
Mol Weight 303.83 g/mol
Molecular Formula C18H22ClNO
Exact Mass 303.138992 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7gjaCOKOOg0
Name 1-(4-Chlorobenzoyl)-2-cyclohexylaminocyclopentene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.138992031 u
Formula C18H22ClNO
InChI InChI=1S/C18H22ClNO/c19-14-11-9-13(10-12-14)18(21)16-7-4-8-17(16)20-15-5-2-1-3-6-15/h9-12,15,20H,1-8H2
InChIKey NPNSDOUQURGWDL-UHFFFAOYSA-N
SMILES C1(=C(CCC1)NC1CCCCC1)C(C=1C=CC(=CC1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939642