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Acetoacetic acid, 3-thio-, butyl ester
SpectraBase Compound ID 7tredZmlGWy
InChI InChI=1S/C8H14O2S/c1-3-4-5-10-8(9)6-7(2)11/h3-6H2,1-2H3
InChIKey PLBFRICFUGZZIG-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 Ibh5E6eSmAT
Name Acetoacetic acid, 3-thio-, butyl ester
Alternate Name(s) Butyl 3-thioxobutanoate 3-sulfanylidenebutanoic acid butyl ester 3-Thioxobutyric acid butyl ester Butyl 3-sulfanylidenebutanoate
CAS Registry Number 18457-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H14O2S
InChI InChI=1S/C8H14O2S/c1-3-4-5-10-8(9)6-7(2)11/h3-6H2,1-2H3
InChIKey PLBFRICFUGZZIG-UHFFFAOYSA-N
Molecular Weight 174.258 g/mol
SMILES C(OCCCC)(CC(C)=S)=O
SPLASH splash10-0zi0-9300000000-c47b59c73d3880ece256
Source of Spectrum T-68-1250-0
Wiley ID 16501