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1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl pentyl ester

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

1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl pentyl ester
SpectraBase Compound ID 8UVx7pEWEUB
InChI InChI=1S/C20H32O4/c1-2-3-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-16-10-5-4-6-11-16/h4-5,16-18H,2-3,6-15H2,1H3
InChIKey LHENTQBCOHNCNO-UHFFFAOYSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2LrMgjyFYSF
Name 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl pentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.230059506 u
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-2-3-9-14-23-19(21)17-12-7-8-13-18(17)20(22)24-15-16-10-5-4-6-11-16/h4-5,16-18H,2-3,6-15H2,1H3
InChIKey LHENTQBCOHNCNO-UHFFFAOYSA-N
Molecular Weight 336.472 g/mol
SMILES C(OC(C1CCCCC1C(OCCCCC)=O)=O)C1CC=CCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.863338