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(E)-2-butenyl 2-methyl-3-oxobutanoate
SpectraBase Compound ID 9upMKHRG2Bj
InChI InChI=1S/C9H14O3/c1-4-5-6-12-9(11)7(2)8(3)10/h4-5,7H,6H2,1-3H3/b5-4+
InChIKey BBCICRSJBVFYCA-SNAWJCMRSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID APx0Gz7DqC8
Name (E)-2-butenyl 2-methyl-3-oxobutanoate
CAS Registry Number 111903-67-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-4-5-6-12-9(11)7(2)8(3)10/h4-5,7H,6H2,1-3H3/b5-4+
InChIKey BBCICRSJBVFYCA-SNAWJCMRSA-N
Molecular Weight 170.208 g/mol
SMILES C(C(=O)OC\C=C\C)(C(=O)C)C
SPLASH splash10-0abi-9000000000-f6b080fbb2337566cc13
Source of Spectrum J-53-450-7
Synonyms (2E)-2-butenyl 2-methyl-3-oxobutanoate 2-Methyl-3-oxobutanoic acid[(E)-but-2-enyl]ester 3-keto-2-methyl-butyric acid[(E)-but-2-enyl]ester [(E)-but-2-enyl]2-methyl-3-oxidanylidene-butanoate [(E)-but-2-enyl]2-methyl-3-oxo-butanoate 2-Methyl-3-oxobutanoic acid [(E)-but-2-enyl] ester [(E)-but-2-enyl] 2-methyl-3-oxobutanoate [(E)-but-2-enyl] 2-methyl-3-oxo-butanoate [(E)-but-2-enyl] 2-methyl-3-oxidanylidene-butanoate
Wiley ID 1166601