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

*Links on SpectraBase are not permalinks.

3-Cyclohexene-1,1-dicarboxylic acid, 6-phenyl-, dimethyl ester

View entire compound with spectra: 1 FTIR

3-Cyclohexene-1,1-dicarboxylic acid, 6-phenyl-, dimethyl ester
SpectraBase Compound ID 2F5sjIk105
InChI InChI=1S/C16H18O4/c1-19-14(17)16(15(18)20-2)11-7-6-10-13(16)12-8-4-3-5-9-12/h3-9,13H,10-11H2,1-2H3
InChIKey SDDPOLMUYLYQSX-UHFFFAOYSA-N
Mol Weight 274.32 g/mol
Molecular Formula C16H18O4
Exact Mass 274.120509 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 2CrMZkQR599
Name 3-Cyclohexene-1,1-dicarboxylic acid, 6-phenyl-, dimethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.120509056 u
Formula C16H18O4
InChI InChI=1S/C16H18O4/c1-19-14(17)16(15(18)20-2)11-7-6-10-13(16)12-8-4-3-5-9-12/h3-9,13H,10-11H2,1-2H3
InChIKey SDDPOLMUYLYQSX-UHFFFAOYSA-N
SMILES C=1CC(C(CC1)(C(OC)=O)C(OC)=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947673