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2-isobutylacetoacetic acid, ethyl ester
SpectraBase Compound ID 5TrnFQRGGAG
InChI InChI=1S/C10H18O3/c1-5-13-10(12)9(8(4)11)6-7(2)3/h7,9H,5-6H2,1-4H3
InChIKey ZGULNKYAODXSCS-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Igha3YR3cjr
Name Pentanoic acid, 2-acetyl-4-methyl-, ethyl ester
CAS Registry Number 1522-34-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-5-13-10(12)9(8(4)11)6-7(2)3/h7,9H,5-6H2,1-4H3
InChIKey ZGULNKYAODXSCS-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(C(CC(C)C)C(C)=O)(OCC)=O
SPLASH splash10-0f6x-9600000000-328a6164dcb805bd73e1
Source of Spectrum AD-0-4911-0
Synonyms Valeric acid, 2-acetyl-4-methyl-, ethyl ester Ethyl 2-acetyl-4-methylpentanoate 2-Acetyl-4-methyl-valeric acid ethyl ester 2-Acetyl-4-methylpentanoic acid ethyl ester Ethyl 2-acetyl-4-methylvalerate Ethyl 2-ethanoyl-4-methyl-pentanoate Ethyl 2-isobutylacetoacetate
Wiley ID 1182759