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Acetoacetic acid, 1,3-dithio-, S-propyl ester
SpectraBase Compound ID 1Ms36koTPjc
InChI InChI=1S/C7H12OS2/c1-3-4-10-7(8)5-6(2)9/h3-5H2,1-2H3
InChIKey IYTVYTMNYXHSNE-UHFFFAOYSA-N
Mol Weight 176.29 g/mol
Molecular Formula C7H12OS2
Exact Mass 176.032957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CwCNndwzE0M
Name Acetoacetic acid, 1,3-dithio-, S-propyl ester
CAS Registry Number 20560-74-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12OS2
InChI InChI=1S/C7H12OS2/c1-3-4-10-7(8)5-6(2)9/h3-5H2,1-2H3
InChIKey IYTVYTMNYXHSNE-UHFFFAOYSA-N
Molecular Weight 176.292 g/mol
SMILES C(C(SCCC)=O)C(C)=S
SPLASH splash10-0udm-9200000000-7613b9b776e1f6b670f2
Source of Spectrum N-30-349-2
Synonyms S-Propyl 3-thioxobutanethioate 3-sulfanylidenebutanethioic acid S-propyl ester 3-Thioxobutanethioic acid S-propyl ester S-propyl 3-sulfanylidenebutanethioate
Wiley ID 1171911