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Fumaric acid, cycloheptyl undecyl ester

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

Fumaric acid, cycloheptyl undecyl ester
SpectraBase Compound ID Fb3VhukR0Gx
InChI InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-11-14-19-25-21(23)17-18-22(24)26-20-15-12-9-10-13-16-20/h17-18,20H,2-16,19H2,1H3/b18-17+
InChIKey KDBPVJMZMCAFNV-ISLYRVAYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C22H38O4
Exact Mass 366.27701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID vQNo4Un8un
Name Fumaric acid, cycloheptyl undecyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 366.277009700 u
Formula C22H38O4
InChI InChI=1S/C22H38O4/c1-2-3-4-5-6-7-8-11-14-19-25-21(23)17-18-22(24)26-20-15-12-9-10-13-16-20/h17-18,20H,2-16,19H2,1H3/b18-17+
InChIKey KDBPVJMZMCAFNV-ISLYRVAYSA-N
Molecular Weight 366.542 g/mol
SMILES C1C(CCCCC1)OC(\C=C\C(OCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95621