Fumaric acid, heptadecyl trans-hex-3-enyl ester

SpectraBase Compound ID	Kdq2NuBzWlo
InChI	InChI=1S/C27H48O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-22-26(28)30-24-20-8-6-4-2/h6,8,22-23H,3-5,7,9-21,24-25H2,1-2H3/b8-6+,23-22+
InChIKey	WUNDBFSYURGPIV-FHKQEHFBSA-N Google Search
Mol Weight	436.7 g/mol
Molecular Formula	C27H48O4
Exact Mass	436.35526 g/mol

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SpectraBase Spectrum ID	HfIOMW8V8J
Name	Fumaric acid, heptadecyl trans-hex-3-enyl 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/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-25-31-27(29)23-22-26(28)30-24-20-8-6-4-2/h6,8,22-23H,3-5,7,9-21,24-25H2,1-2H3/b8-6+,23-22+
InChIKey	WUNDBFSYURGPIV-FHKQEHFBSA-N
Molecular Weight	436.677 g/mol
SMILES	C(OCC\C=C\CC)(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR)	0.937014