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Pentanoic acid, 2-acetyl-4-methyl, methyl ester
SpectraBase Compound ID D6RNLdR1vWl
InChI InChI=1S/C9H16O3/c1-6(2)5-8(7(3)10)9(11)12-4/h6,8H,5H2,1-4H3
InChIKey DMKUCMYAMVVGLJ-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 6QMXGoHOyH1
Name Pentanoic acid, 2-acetyl-4-methyl-, methyl ester
CAS Registry Number 51756-09-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-6(2)5-8(7(3)10)9(11)12-4/h6,8H,5H2,1-4H3
InChIKey DMKUCMYAMVVGLJ-UHFFFAOYSA-N
Molecular Weight 172.224 g/mol
SMILES C(C(CC(C)C)C(C)=O)(OC)=O
SPLASH splash10-000f-9100000000-51e3b02d0fd5ae49ec31
Source of Spectrum EP-2735-0-0
Synonyms Methyl 2-acetyl-4-methylpentanoate 2-Acetyl-4-methyl-valeric acid methyl ester 2-Acetyl-4-methylpentanoic acid methyl ester Methyl 2-ethanoyl-4-methyl-pentanoate
Wiley ID 1168682