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Acetoacetic acid, 1,3-dithio-, S-isobutyl ester
SpectraBase Compound ID 5zjFLxsiy1I
InChI InChI=1S/C8H14OS2/c1-6(2)5-11-8(9)4-7(3)10/h6H,4-5H2,1-3H3
InChIKey CHISSUOUZFPUDQ-UHFFFAOYSA-N
Mol Weight 190.32 g/mol
Molecular Formula C8H14OS2
Exact Mass 190.048607 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6S2aXUgvWkZ
Name Acetoacetic acid, 1,3-dithio-, S-isobutyl ester
CAS Registry Number 20383-04-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14OS2
InChI InChI=1S/C8H14OS2/c1-6(2)5-11-8(9)4-7(3)10/h6H,4-5H2,1-3H3
InChIKey CHISSUOUZFPUDQ-UHFFFAOYSA-N
Molecular Weight 190.319 g/mol
SMILES C(SCC(C)C)(CC(C)=S)=O
SPLASH splash10-0f6x-9200000000-832578a5122a70909875
Source of Spectrum N-30-349-3
Synonyms S-Isobutyl 3-thioxobutanethioate 3-sulfanylidenebutanethioic acid S-(2-methylpropyl) ester 3-Thioxobutanethioic acid S-isobutyl ester S-(2-methylpropyl) 3-sulfanylidenebutanethioate
Wiley ID 1186155