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Fumaric acid, heptyl 3-methylbut-2-yl ester

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Fumaric acid, heptyl 3-methylbut-2-yl ester
SpectraBase Compound ID 83n7hYrUywN
InChI InChI=1S/C16H28O4/c1-5-6-7-8-9-12-19-15(17)10-11-16(18)20-14(4)13(2)3/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+
InChIKey WJPUFZNZAISXGN-ZHACJKMWSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7XRh88uZcHa
Name Fumaric acid, heptyl 3-methylbut-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-5-6-7-8-9-12-19-15(17)10-11-16(18)20-14(4)13(2)3/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+
InChIKey WJPUFZNZAISXGN-ZHACJKMWSA-N
SMILES C(\C=C\C(OC(C(C)C)C)=O)(OCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828309