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ACETOACETIC ACID, 2-ISOPROPYL-, ETHYL ESTER
SpectraBase Compound ID 3obw5czmxTC
InChI InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3
InChIKey DMIFFKCVURTPTG-UHFFFAOYSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0DnRlKn4Fs
Name Butanoic acid, 2-acetyl-3-methyl-, ethyl ester
CAS Registry Number 1522-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-5-12-9(11)8(6(2)3)7(4)10/h6,8H,5H2,1-4H3
InChIKey DMIFFKCVURTPTG-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES CC(C(C(=O)OCC)C(C)=O)C
SPLASH splash10-00lf-9500000000-98fa0c1a628c2680a36f
Source of Spectrum AA-0-1150-1
Synonyms 2-Acetyl-3-methyl-butyric acid ethyl ester 2-Acetyl-3-methylbutanoic acid ethyl ester 2-Isopropylacetoacetic acid ethyl ester Acetoacetic acid, 2-isopropyl-, ethyl ester Ethyl .alpha.-isopropylacetoacetate Ethyl 2-acetyl-3-methyl-butanoate Ethyl 2-acetyl-3-methylbutyrate Ethyl 2-ethanoyl-3-methyl-butanoate Ethyl 2-isopropylacetoacetate AI3-11197 EINECS 216-192-6 NSC 18754 NSC 25315 NSC 54978
Wiley ID 1168686