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

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

1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl ethyl ester
SpectraBase Compound ID C0r2OWzcmTa
InChI InChI=1S/C17H26O4/c1-2-20-16(18)14-10-6-7-11-15(14)17(19)21-12-13-8-4-3-5-9-13/h3-4,13-15H,2,5-12H2,1H3
InChIKey IYQKQGJAPCBFID-UHFFFAOYSA-N
Mol Weight 294.39 g/mol
Molecular Formula C17H26O4
Exact Mass 294.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LiIFKQm0vTE
Name 1,2-Cyclohexanedicarboxylic acid, cyclohex-3-enylmethyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 294.183109313 u
Formula C17H26O4
InChI InChI=1S/C17H26O4/c1-2-20-16(18)14-10-6-7-11-15(14)17(19)21-12-13-8-4-3-5-9-13/h3-4,13-15H,2,5-12H2,1H3
InChIKey IYQKQGJAPCBFID-UHFFFAOYSA-N
SMILES C1(CC=CCC1)COC(C1C(CCCC1)C(OCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887771