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3-Methyl-2-butenoic acid, undecyl ester

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

3-Methyl-2-butenoic acid, undecyl ester
SpectraBase Compound ID 1S28YsbNFjW
InChI InChI=1S/C16H30O2/c1-4-5-6-7-8-9-10-11-12-13-18-16(17)14-15(2)3/h14H,4-13H2,1-3H3
InChIKey BFTCPARCWRXPLT-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 DuXfZtWN85w
Name 3-Methyl-2-butenoic acid, undecyl 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/c1-4-5-6-7-8-9-10-11-12-13-18-16(17)14-15(2)3/h14H,4-13H2,1-3H3
InChIKey BFTCPARCWRXPLT-UHFFFAOYSA-N
Molecular Weight 254.414 g/mol
SMILES C(CCCCCCCCCC)OC(=O)C=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959226