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4-ketopelargonic acid methyl ester
SpectraBase Compound ID FvEo4ABvzt2
InChI InChI=1S/C10H18O3/c1-3-4-5-6-9(11)7-8-10(12)13-2/h3-8H2,1-2H3
InChIKey IOSJUDSPZQHSKG-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 LXabs6On3Cm
Name 4-ketopelargonic acid methyl ester
Alternate Name(s) 4-Oxononanoic acid methyl ester Methyl 4-oxidanylidenenonanoate Methyl 4-oxononanoate
CAS Registry Number 33566-57-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-3-4-5-6-9(11)7-8-10(12)13-2/h3-8H2,1-2H3
InChIKey IOSJUDSPZQHSKG-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(=O)(CCC(=O)CCCCC)OC
SPLASH splash10-052b-9400000000-cdf8d0afcd25ba35d377
Source of Spectrum JC-438-304-3
Wiley ID 1182731