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cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl phenethyl ester

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

cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl phenethyl ester
SpectraBase Compound ID 36WFWPouIwG
InChI InChI=1S/C18H22O4/c1-2-21-17(19)15-10-6-7-11-16(15)18(20)22-13-12-14-8-4-3-5-9-14/h3-9,15-16H,2,10-13H2,1H3
InChIKey MSJQIKZXODCXGU-UHFFFAOYSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ln3Qfy1J4Rq
Name cis-Cyclohex-4-en-1,2-dicarboxylic acid, ethyl phenethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 302.151809184 u
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-2-21-17(19)15-10-6-7-11-16(15)18(20)22-13-12-14-8-4-3-5-9-14/h3-9,15-16H,2,10-13H2,1H3
InChIKey MSJQIKZXODCXGU-UHFFFAOYSA-N
SMILES C=1CC(C(CC1)C(OCCC=1C=CC=CC1)=O)C(=O)OCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.911646