For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2-Cyclohexen-1-one, 5-(4-chlorophenyl)-3-hydroxy-2-(1-oxobutyl)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 Raman

2-Cyclohexen-1-one, 5-(4-chlorophenyl)-3-hydroxy-2-(1-oxobutyl)-
SpectraBase Compound ID 9us8yXQJYGC
InChI InChI=1S/C16H17ClO3/c1-2-3-13(18)16-14(19)8-11(9-15(16)20)10-4-6-12(17)7-5-10/h4-7,11,19H,2-3,8-9H2,1H3
InChIKey KBTUOMOLRPXHQV-UHFFFAOYSA-N
Mol Weight 292.76 g/mol
Molecular Formula C16H17ClO3
Exact Mass 292.086622 g/mol

Raman Spectrum

Raman Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B3UiY780iUs
Name 2-Cyclohexen-1-one, 5-(4-chlorophenyl)-3-hydroxy-2-(1-oxobutyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.086622104 u
Formula C16H17ClO3
InChI InChI=1S/C16H17ClO3/c1-2-3-13(18)16-14(19)8-11(9-15(16)20)10-4-6-12(17)7-5-10/h4-7,11,19H,2-3,8-9H2,1H3
InChIKey KBTUOMOLRPXHQV-UHFFFAOYSA-N
SMILES OC1=C(C(CC(C2=CC=C(C=C2)Cl)C1)=O)C(CCC)=O
Spectrum/Structure Validation Score (Raman) 0.77346