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Fumaric acid, 2-butyl hexyl ester

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Fumaric acid, 2-butyl hexyl ester
SpectraBase Compound ID Klg1myk2DCx
InChI InChI=1S/C14H24O4/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+
InChIKey OWSVOOQONWWKMG-MDZDMXLPSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8r6zcIg7nEu
Name Fumaric acid, 2-butyl hexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-4-6-7-8-11-17-13(15)9-10-14(16)18-12(3)5-2/h9-10,12H,4-8,11H2,1-3H3/b10-9+
InChIKey OWSVOOQONWWKMG-MDZDMXLPSA-N
Molecular Weight 256.342 g/mol
SMILES C(\C=C\C(OCCCCCC)=O)(OC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969307