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Fumaric acid, cyclohexylmethyl dodecyl ester

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

Fumaric acid, cyclohexylmethyl dodecyl ester
SpectraBase Compound ID BLX9bgBlC81
InChI InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-14-19-26-22(24)17-18-23(25)27-20-21-15-12-11-13-16-21/h17-18,21H,2-16,19-20H2,1H3/b18-17+
InChIKey BXGRNBRFOYPMBE-ISLYRVAYSA-N
Mol Weight 380.6 g/mol
Molecular Formula C23H40O4
Exact Mass 380.29266 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LbikgpLKtb7
Name Fumaric acid, cyclohexylmethyl dodecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 380.292659764 u
Formula C23H40O4
InChI InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-10-14-19-26-22(24)17-18-23(25)27-20-21-15-12-11-13-16-21/h17-18,21H,2-16,19-20H2,1H3/b18-17+
InChIKey BXGRNBRFOYPMBE-ISLYRVAYSA-N
Molecular Weight 380.569 g/mol
SMILES CCCCCCCCCCCCOC(\C=C\C(OCC1CCCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947494