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Isopropyl 3-methyl-2-oxo-pentanoate
SpectraBase Compound ID 95spl1nxuFm
InChI InChI=1S/C9H16O3/c1-5-7(4)8(10)9(11)12-6(2)3/h6-7H,5H2,1-4H3
InChIKey FSBFDNKNWMHFRE-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 8PnJuukZ3hg
Name Isopropyl 3-methyl-2-oxopentanoate
Classification Fatty acid esters
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 172.109944372 u
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-5-7(4)8(10)9(11)12-6(2)3/h6-7H,5H2,1-4H3
InChIKey FSBFDNKNWMHFRE-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
Number of Peaks 7
SMILES CCC(C(C(=O)OC(C)C)=O)C
SPLASH splash10-0a4u-9000000000-ca9527a6a64b22c4f283
Source of Spectrum FF-20-375-(+/_)_5 (DOI: 10.1002/ffj.1510)
Synonyms 3-Methyl-2-oxopentanoic acid propan-2-yl ester Propan-2-yl 3-methyl-2-oxopentanoate Isopropyl 3-methyl-2-oxo-pentanoate Propan-2-yl 3-methyl-2-oxidanylidene-pentanoate
Wiley ID 1775394