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1,2-Cyclohexanedicarboxylic acid, allyl decyl ester

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

1,2-Cyclohexanedicarboxylic acid, allyl decyl ester
SpectraBase Compound ID IdEV204IDRg
InChI InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-4-2/h4,18-19H,2-3,5-17H2,1H3
InChIKey CBTDOECWCJSHTQ-UHFFFAOYSA-N
Mol Weight 352.5 g/mol
Molecular Formula C21H36O4
Exact Mass 352.26136 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H6HYVAsMIhB
Name 1,2-Cyclohexanedicarboxylic acid, allyl decyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.261359635 u
Formula C21H36O4
InChI InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-13-17-25-21(23)19-15-12-11-14-18(19)20(22)24-16-4-2/h4,18-19H,2-3,5-17H2,1H3
InChIKey CBTDOECWCJSHTQ-UHFFFAOYSA-N
Molecular Weight 352.515 g/mol
SMILES C1(CCCCC1C(OCCCCCCCCCC)=O)C(=O)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939383