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trans-crotonic acid, isopropyl ester
SpectraBase Compound ID A58pPCCxqmv
InChI InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4+
InChIKey AABBHSMFGKYLKE-SNAWJCMRSA-N
Mol Weight 128.17 g/mol
Molecular Formula C7H12O2
Exact Mass 128.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IvBnXpFDDFs
Name 2-Butenoic acid, 1-methylethyl ester
CAS Registry Number 18060-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2
InChI InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4+
InChIKey AABBHSMFGKYLKE-SNAWJCMRSA-N
Molecular Weight 128.171 g/mol
SMILES C\C=C\C(=O)OC(C)C
SPLASH splash10-014u-9000000000-f05d069ab8acb3ace230
Source of Spectrum HE-1982-0-0
Synonyms Isopropyl (2E)-2-butenoate Crotonic acid, isopropyl ester (E)-2-Butenoic acid isopropyl ester (E)-2-butenoic acid propan-2-yl ester (E)-but-2-enoic acid isopropyl ester CH3CH=CHC(O)OCH(CH3)2 Crotonic acid, isopropyl ester, trans isopropyl (E)-but-2-enoate Isopropyl 2-butenoate Isopropyl crotonate Propan-2-yl (E)-but-2-enoate AI3-24668 EINECS 241-970-7
Wiley ID 1131196