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Fumaric acid, heptyl 4-methylpent-2-yl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

Fumaric acid, heptyl 4-methylpent-2-yl ester
SpectraBase Compound ID Ks0X1xSd5hy
InChI InChI=1S/C17H30O4/c1-5-6-7-8-9-12-20-16(18)10-11-17(19)21-15(4)13-14(2)3/h10-11,14-15H,5-9,12-13H2,1-4H3/b11-10+
InChIKey NFMFRPZBNLSLIH-ZHACJKMWSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 67kAwJsFcEF
Name Fumaric acid, heptyl 4-methylpent-2-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-5-6-7-8-9-12-20-16(18)10-11-17(19)21-15(4)13-14(2)3/h10-11,14-15H,5-9,12-13H2,1-4H3/b11-10+
InChIKey NFMFRPZBNLSLIH-ZHACJKMWSA-N
SMILES C(OC(C)CC(C)C)(\C=C\C(OCCCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928283