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Butanethioic acid, 3-oxo-, S-(1-methylethyl) ester
SpectraBase Compound ID 7QRU5b0RZmW
InChI InChI=1S/C7H12O2S/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey VNWWAALNZPUNNP-UHFFFAOYSA-N
Mol Weight 160.23 g/mol
Molecular Formula C7H12O2S
Exact Mass 160.055801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gzc27yyl6eV
Name Butanethioic acid, 3-oxo-, S-(1-methylethyl) ester
CAS Registry Number 15780-62-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12O2S
InChI InChI=1S/C7H12O2S/c1-5(2)10-7(9)4-6(3)8/h5H,4H2,1-3H3
InChIKey VNWWAALNZPUNNP-UHFFFAOYSA-N
Molecular Weight 160.231 g/mol
SMILES C(C(SC(C)C)=O)C(C)=O
SPLASH splash10-000l-9100000000-4bea7997bdc51f20fe6b
Source of Spectrum T-67-752-0
Synonyms S-Isopropyl 3-oxobutanethioate 3-ketobutanethioic acid S-isopropyl ester 3-Oxobutanethioic acid S-propan-2-yl ester Acetoacetic acid, 1-thio-, S-isopropyl ester S-propan-2-yl 3-oxidanylidenebutanethioate S-propan-2-yl 3-oxobutanethioate
Wiley ID 12606