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3-Oxo-2-n-pentyl-4,4-dimethylpentanoic acid, methyl ester
SpectraBase Compound ID 2seUDSeE6t7
InChI InChI=1S/C13H24O3/c1-6-7-8-9-10(12(15)16-5)11(14)13(2,3)4/h10H,6-9H2,1-5H3
InChIKey ALAGPIAGQNAUEF-UHFFFAOYSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52ZXbEiHLfb
Name 3-Oxo-2-n-pentyl-4,4-dimethylpentanoic acid, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-6-7-8-9-10(12(15)16-5)11(14)13(2,3)4/h10H,6-9H2,1-5H3
InChIKey ALAGPIAGQNAUEF-UHFFFAOYSA-N
Molecular Weight 228.332 g/mol
SMILES C(=O)(C(C)(C)C)C(CCCCC)C(OC)=O
SPLASH splash10-0a4i-9200000000-fec6f99c3b1de285ef95
Synonyms 2-(2,2-dimethyl-1-oxopropyl)heptanoic acid methyl ester 2-Pivaloylenanthic acid methyl ester Methyl 2-(2,2-dimethylpropanoyl)heptanoate
Wiley ID 1476888