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2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (E)-

View entire compound with spectra: 2 NMR, 3 FTIR, and 7 MS (GC)

2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (E)-
SpectraBase Compound ID 7rMN04MhBjA
InChI InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5+
InChIKey XDEGQMQKHFPBEW-VMPITWQZSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BO14IOGyxUZ
Name Isobutyl tiglate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5+
InChIKey XDEGQMQKHFPBEW-VMPITWQZSA-N
Instrument Name HP 5890-5971
Ionization Type EI
Literature Reference DOI 10.1002/ffj.1968
Molecular Weight 156.225 g/mol
SMILES C(OC(=O)\C(C)=C\C)C(C)C
SPLASH splash10-0pc0-9200000000-d0b9f5dc07c6db822b55
Source of Spectrum 10.1002/ffj.1968
Wiley ID 1859231