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Propyl 3-methyl-2-oxopentanoate

View entire compound with spectra: 2 MS (GC)

Propyl 3-methyl-2-oxopentanoate
SpectraBase Compound ID G0fJL8u4LAT
InChI InChI=1S/C9H16O3/c1-4-6-12-9(11)8(10)7(3)5-2/h7H,4-6H2,1-3H3
InChIKey CHTHRZQXWRLUHN-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 4KA9kYbm4Da
Name Propyl 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/c1-4-6-12-9(11)8(10)7(3)5-2/h7H,4-6H2,1-3H3
InChIKey CHTHRZQXWRLUHN-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
Number of Peaks 7
SMILES CCC(C(C(=O)OCCC)=O)C
SPLASH splash10-0a4r-9000000000-ed08fd81a96e9024ff8f
Source of Spectrum FF-20-375-(+/_)_4 (DOI: 10.1002/ffj.1510)
Wiley ID 1775393