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Fumaric acid, dicycloheptyl ester

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Fumaric acid, dicycloheptyl ester
SpectraBase Compound ID IPI0OWjbtbG
InChI InChI=1S/C18H28O4/c19-17(21-15-9-5-1-2-6-10-15)13-14-18(20)22-16-11-7-3-4-8-12-16/h13-16H,1-12H2/b14-13+
InChIKey INWAEVYPSJQCGS-BUHFOSPRSA-N
Mol Weight 308.42 g/mol
Molecular Formula C18H28O4
Exact Mass 308.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2VesvfwrAes
Name Fumaric acid, dicycloheptyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 308.198759378 u
Formula C18H28O4
InChI InChI=1S/C18H28O4/c19-17(21-15-9-5-1-2-6-10-15)13-14-18(20)22-16-11-7-3-4-8-12-16/h13-16H,1-12H2/b14-13+
InChIKey INWAEVYPSJQCGS-BUHFOSPRSA-N
Molecular Weight 308.418 g/mol
SMILES C1C(CCCCC1)OC(\C=C\C(OC1CCCCCC1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.955904