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Pentanoic acid, 4-methyl-3-oxo-, 1,1-dimethylethyl ester
SpectraBase Compound ID DyUPL4l6wdW
InChI InChI=1S/C10H18O3/c1-7(2)8(11)6-9(12)13-10(3,4)5/h7H,6H2,1-5H3
InChIKey BTHNEHUFXUBOQG-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 LbqVnoJdCzX
Name Pentanoic acid, 4-methyl-3-oxo-, 1,1-dimethylethyl ester
CAS Registry Number 94250-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-7(2)8(11)6-9(12)13-10(3,4)5/h7H,6H2,1-5H3
InChIKey BTHNEHUFXUBOQG-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES C(C(OC(C)(C)C)=O)C(=O)C(C)C
SPLASH splash10-052f-9000000000-85915121014c5069ecbd
Source of Spectrum J-50-445-19
Synonyms 3-keto-4-methyl-valeric acid tert-butyl ester 4-Methyl-3-oxopentanoic acid tert-butyl ester tert-Butyl 4-methyl-3-oxidanylidene-pentanoate tert-Butyl 4-methyl-3-oxo-pentanoate
Wiley ID 1182834