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

*Links on SpectraBase are not permalinks.

Methyl 4-(trans-4-(ethoxycarbonyl)cyclohexyl)benzoate

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

Methyl 4-(trans-4-(ethoxycarbonyl)cyclohexyl)benzoate
SpectraBase Compound ID EQRO9v7zPMU
InChI InChI=1S/C17H22O4/c1-3-21-17(19)15-10-6-13(7-11-15)12-4-8-14(9-5-12)16(18)20-2/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3/t13-,15-
InChIKey JRJDFVOVTAYTME-CTYIDZIISA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 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 4sD2pxfLBB9
Name Methyl 4-(trans-4-(ethoxycarbonyl)cyclohexyl)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 290.151809184 u
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-3-21-17(19)15-10-6-13(7-11-15)12-4-8-14(9-5-12)16(18)20-2/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3/t13-,15-
InChIKey JRJDFVOVTAYTME-CTYIDZIISA-N
SMILES C1C[C@](CC[C@@]1(C(OCC)=O)[H])(C1=CC=C(C=C1)C(OC)=O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.85013