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Acetoacetic acid, 1-thio-, S-allyl ester
SpectraBase Compound ID 1TrZRGRQnnd
InChI InChI=1S/C7H10O2S/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
InChIKey PBBMCLQLJFQXQC-UHFFFAOYSA-N
Mol Weight 158.21 g/mol
Molecular Formula C7H10O2S
Exact Mass 158.040151 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FJaEhXWWYYG
Name Acetoacetic acid, 1-thio-, S-allyl ester
Alternate Name(s) S-Allyl 3-oxobutanethioate 3-ketobutanethioic acid S-allyl ester 3-Oxobutanethioic acid S-prop-2-enyl ester S-prop-2-enyl 3-oxidanylidenebutanethioate S-prop-2-enyl 3-oxobutanethioate
CAS Registry Number 15780-65-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2S
InChI InChI=1S/C7H10O2S/c1-3-4-10-7(9)5-6(2)8/h3H,1,4-5H2,2H3
InChIKey PBBMCLQLJFQXQC-UHFFFAOYSA-N
Molecular Weight 158.215 g/mol
SMILES C(C(SCC=C)=O)C(C)=O
SPLASH splash10-000f-9000000000-15e6701d9b08b3f13899
Source of Spectrum T-67-709-0
Wiley ID 1154990