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Acetoacetic acid, 1-thio-, S-sec-butyl ester
SpectraBase Compound ID 344VZXD9ON7
InChI InChI=1S/C8H14O2S/c1-4-7(3)11-8(10)5-6(2)9/h7H,4-5H2,1-3H3
InChIKey JMBSREPHERKYJJ-UHFFFAOYSA-N
Mol Weight 174.26 g/mol
Molecular Formula C8H14O2S
Exact Mass 174.071451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LsqqkwUuMUX
Name Acetoacetic acid, 1-thio-, S-sec-butyl ester
CAS Registry Number 15780-64-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-4-7(3)11-8(10)5-6(2)9/h7H,4-5H2,1-3H3
InChIKey JMBSREPHERKYJJ-UHFFFAOYSA-N
Molecular Weight 174.258 g/mol
SMILES C(SC(CC)C)(CC(C)=O)=O
SPLASH splash10-000l-9100000000-32144fcac2a683ff59ae
Source of Spectrum AA-0-1172-5
Synonyms S-(Sec-butyl) 3-oxobutanethioate 3-ketobutanethioic acid S-sec-butyl ester 3-Oxobutanethioic acid S-butan-2-yl ester S-butan-2-yl 3-oxidanylidenebutanethioate S-butan-2-yl 3-oxobutanethioate
Wiley ID 1170223