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Isobutyl angelate
SpectraBase Compound ID 3x6YZSZoHvc
InChI InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5-
InChIKey XDEGQMQKHFPBEW-YVMONPNESA-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 3biuUDfF44
Name 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester, (Z)-
Alternate Name(s) Angelic acid, isobutyl ester Crotonic acid, 2-methyl-, isobutyl ester, (Z)- (Z)-2-methyl-2-butenoic acid 2-methylpropyl ester (Z)-2-methylbut-2-enoic acid isobutyl ester 2-Methylpropyl (Z)-2-methylbut-2-enoate iso-Butyl tiglate Isobutyl (2Z)-2-methyl-2-butenoate isobutyl (Z)-2-methylbut-2-enoate Isobutyl angelate Isobutyl cis-2-methyl-2-butenoate
CAS Registry Number 7779-81-9
Copyright Copyright © 2020-2024 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-YVMONPNESA-N
Molecular Weight 156.225 g/mol
SMILES C(\C(=C/C)C)(OCC(C)C)=O
SPLASH splash10-0pc0-9300000000-bcd56844f23dd1042a49
Source of Spectrum O-11-832-1
Wiley ID 1153632