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Fumaric acid, isobutyl nonyl ester

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

Fumaric acid, isobutyl nonyl ester
SpectraBase Compound ID I7fl9bQHA8h
InChI InChI=1S/C17H30O4/c1-4-5-6-7-8-9-10-13-20-16(18)11-12-17(19)21-14-15(2)3/h11-12,15H,4-10,13-14H2,1-3H3/b12-11+
InChIKey SPPSNKIORWOZOW-VAWYXSNFSA-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 Iy5lxwJWDWM
Name Fumaric acid, isobutyl nonyl 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/c1-4-5-6-7-8-9-10-13-20-16(18)11-12-17(19)21-14-15(2)3/h11-12,15H,4-10,13-14H2,1-3H3/b12-11+
InChIKey SPPSNKIORWOZOW-VAWYXSNFSA-N
SMILES C(\C=C\C(OCC(C)C)=O)(OCCCCCCCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.877041