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Fumaric acid, cyclohexylmethyl hexadecyl ester

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

Fumaric acid, cyclohexylmethyl hexadecyl ester
SpectraBase Compound ID 1L6CgnVnLOE
InChI InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-30-26(28)21-22-27(29)31-24-25-19-16-15-17-20-25/h21-22,25H,2-20,23-24H2,1H3/b22-21+
InChIKey JUNFXUITXVPEIU-QURGRASLSA-N
Mol Weight 436.7 g/mol
Molecular Formula C27H48O4
Exact Mass 436.35526 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID G1mUyGbsnyJ
Name Fumaric acid, cyclohexylmethyl hexadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 436.355260022 u
Formula C27H48O4
InChI InChI=1S/C27H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-30-26(28)21-22-27(29)31-24-25-19-16-15-17-20-25/h21-22,25H,2-20,23-24H2,1H3/b22-21+
InChIKey JUNFXUITXVPEIU-QURGRASLSA-N
Molecular Weight 436.677 g/mol
SMILES CCCCCCCCCCCCCCCCOC(\C=C\C(OCC1CCCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936725