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1,2-Cyclohexanedicarboxylic acid, allyl octadecyl ester

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

1,2-Cyclohexanedicarboxylic acid, allyl octadecyl ester
SpectraBase Compound ID DzqJPPZ2T5i
InChI InChI=1S/C29H52O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-33-29(31)27-23-20-19-22-26(27)28(30)32-24-4-2/h4,26-27H,2-3,5-25H2,1H3
InChIKey HEFFSOHYOKUWFM-UHFFFAOYSA-N
Mol Weight 464.7 g/mol
Molecular Formula C29H52O4
Exact Mass 464.38656 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 33MRtDqX4na
Name 1,2-Cyclohexanedicarboxylic acid, allyl octadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 464.386560150 u
Formula C29H52O4
InChI InChI=1S/C29H52O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-33-29(31)27-23-20-19-22-26(27)28(30)32-24-4-2/h4,26-27H,2-3,5-25H2,1H3
InChIKey HEFFSOHYOKUWFM-UHFFFAOYSA-N
Molecular Weight 464.731 g/mol
SMILES C(C1CCCCC1C(OCCCCCCCCCCCCCCCCCC)=O)(=O)OCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952104