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Fumaric acid, dec-4-enyl heptadecyl ester

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

Fumaric acid, dec-4-enyl heptadecyl ester
SpectraBase Compound ID 4c1LCF3sjYF
InChI InChI=1S/C31H56O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-29-35-31(33)27-26-30(32)34-28-24-22-20-12-10-8-6-4-2/h12,20,26-27H,3-11,13-19,21-25,28-29H2,1-2H3/b20-12+,27-26+
InChIKey NGLBCKOBFNABHO-TXDNHWJASA-N
Mol Weight 492.8 g/mol
Molecular Formula C31H56O4
Exact Mass 492.41786 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BjcytFW3lzG
Name Fumaric acid, dec-4-enyl heptadecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.417860279 u
Formula C31H56O4
InChI InChI=1S/C31H56O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-29-35-31(33)27-26-30(32)34-28-24-22-20-12-10-8-6-4-2/h12,20,26-27H,3-11,13-19,21-25,28-29H2,1-2H3/b20-12+,27-26+
InChIKey NGLBCKOBFNABHO-TXDNHWJASA-N
Molecular Weight 492.785 g/mol
SMILES C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.96906