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3-Methyl-4-oxononanoic acid

View entire compound with spectra: 2 MS (GC)

3-Methyl-4-oxononanoic acid
SpectraBase Compound ID Lt0wnouHAEg
InChI InChI=1S/C10H18O3/c1-3-4-5-6-9(11)8(2)7-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKey DDKDAIWVRBQCNN-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 DI4D1yYXLL2
Name 3-Methyl-4-oxononanoic acid
Alternate Name(s) 3-Methyl-4-oxidanylidene-nonanoic acid 4-keto-3-methyl-pelargonic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-3-4-5-6-9(11)8(2)7-10(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKey DDKDAIWVRBQCNN-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES OC(CC(C(CCCCC)=O)C)=O
SPLASH splash10-006t-9200000000-0d81878a50cd41f1036c
Source of Spectrum KD-12-1875-2
Wiley ID 1634593