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1,2-Cyclohexanedicarboxylic acid, allyl pentadecyl ester

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

1,2-Cyclohexanedicarboxylic acid, allyl pentadecyl ester
SpectraBase Compound ID H2qsGjl93P
InChI InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-30-26(28)24-20-17-16-19-23(24)25(27)29-21-4-2/h4,23-24H,2-3,5-22H2,1H3
InChIKey KPFHTFCFTOPOEV-UHFFFAOYSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2F7g1SgI9Dr
Name 1,2-Cyclohexanedicarboxylic acid, allyl pentadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 422.339609957 u
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-18-22-30-26(28)24-20-17-16-19-23(24)25(27)29-21-4-2/h4,23-24H,2-3,5-22H2,1H3
InChIKey KPFHTFCFTOPOEV-UHFFFAOYSA-N
Molecular Weight 422.650 g/mol
SMILES C1(CCCCC1C(OCCCCCCCCCCCCCCC)=O)C(=O)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.941628