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Fumaric acid, cis-non-3-enyl propyl ester

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Fumaric acid, cis-non-3-enyl propyl ester
SpectraBase Compound ID ANYhyIRxU8N
InChI InChI=1S/C16H26O4/c1-3-5-6-7-8-9-10-14-20-16(18)12-11-15(17)19-13-4-2/h8-9,11-12H,3-7,10,13-14H2,1-2H3/b9-8-,12-11+
InChIKey CGTOJJPEEONSGI-UONSLQGUSA-N
Mol Weight 282.38 g/mol
Molecular Formula C16H26O4
Exact Mass 282.183109 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HHX8GjNfS6j
Name Fumaric acid, cis-non-3-enyl propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.183109313 u
Formula C16H26O4
InChI InChI=1S/C16H26O4/c1-3-5-6-7-8-9-10-14-20-16(18)12-11-15(17)19-13-4-2/h8-9,11-12H,3-7,10,13-14H2,1-2H3/b9-8-,12-11+
InChIKey CGTOJJPEEONSGI-UONSLQGUSA-N
SMILES C(\C=C\C(OCCC)=O)(OCC\C=C/CCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877239