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Acetoacetic acid, 1,3-dithio-, S-isopropyl ester
SpectraBase Compound ID HQIZ7uTIFBk
InChI InChI=1S/C7H12OS2/c1-5(2)10-7(8)4-6(3)9/h5H,4H2,1-3H3
InChIKey QDWYMDBWRRQAAD-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 CjvuHeDRwOG
Name Acetoacetic acid, 1,3-dithio-, S-isopropyl ester
CAS Registry Number 20383-02-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H12OS2
InChI InChI=1S/C7H12OS2/c1-5(2)10-7(8)4-6(3)9/h5H,4H2,1-3H3
InChIKey QDWYMDBWRRQAAD-UHFFFAOYSA-N
Molecular Weight 176.292 g/mol
SMILES C(C(SC(C)C)=O)C(C)=S
SPLASH splash10-002f-9000000000-193318ebf8c526b32141
Source of Spectrum T-68-916-0
Synonyms S-Isopropyl 3-thioxobutanethioate 3-sulfanylidenebutanethioic acid S-propan-2-yl ester 3-Thioxobutanethioic acid S-isopropyl ester S-propan-2-yl 3-sulfanylidenebutanethioate
Wiley ID 16991