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10-Undecenoic acid, 3-methylbutyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

10-Undecenoic acid, 3-methylbutyl ester
SpectraBase Compound ID 5216dMxoyb7
InChI InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h4,15H,1,5-14H2,2-3H3
InChIKey DMSGZRWAESVGIP-UHFFFAOYSA-N
Mol Weight 254.41 g/mol
Molecular Formula C16H30O2
Exact Mass 254.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LauJVu1a43B
Name 10-Undecenoic acid, 3-methylbutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.224580204 u
Formula C16H30O2
InChI InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-16(17)18-14-13-15(2)3/h4,15H,1,5-14H2,2-3H3
InChIKey DMSGZRWAESVGIP-UHFFFAOYSA-N
Molecular Weight 254.414 g/mol
SMILES C(C(OCCC(C)C)=O)CCCCCCCC=C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973975