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Fumaric acid, 3-methylbut-2-en-1-yl nonyl ester

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

Fumaric acid, 3-methylbut-2-en-1-yl nonyl ester
SpectraBase Compound ID 7VIqkVEjv0G
InChI InChI=1S/C18H30O4/c1-4-5-6-7-8-9-10-14-21-17(19)11-12-18(20)22-15-13-16(2)3/h11-13H,4-10,14-15H2,1-3H3/b12-11+
InChIKey JVIBHZKWFFBMEK-VAWYXSNFSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID H9N452YIJGO
Name Fumaric acid, 3-methylbut-2-en-1-yl nonyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.214409442 u
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-4-5-6-7-8-9-10-14-21-17(19)11-12-18(20)22-15-13-16(2)3/h11-13H,4-10,14-15H2,1-3H3/b12-11+
InChIKey JVIBHZKWFFBMEK-VAWYXSNFSA-N
SMILES C(COC(\C=C\C(OCCCCCCCCC)=O)=O)=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.813586