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1-Propanone, 3,3-bis(methylthio)-1-(3-thienyl)-
SpectraBase Compound ID B5SKz8WqQcf
InChI InChI=1S/C9H12OS3/c1-11-9(12-2)5-8(10)7-3-4-13-6-7/h3-4,6,9H,5H2,1-2H3
InChIKey PIJNQWQIGNUPGA-UHFFFAOYSA-N
Mol Weight 232.37 g/mol
Molecular Formula C9H12OS3
Exact Mass 232.005029 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 53BkKnfUda9
Name 1-Propanone, 3,3-bis(methylthio)-1-(3-thienyl)-
Alternate Name(s) 3,3-bis(methylsulfanyl)-1-(3-thienyl)-1-propanone 3,3-bis(methylthio)-1-(3-thienyl)-1-propanone
CAS Registry Number 78018-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12OS3
InChI InChI=1S/C9H12OS3/c1-11-9(12-2)5-8(10)7-3-4-13-6-7/h3-4,6,9H,5H2,1-2H3
InChIKey PIJNQWQIGNUPGA-UHFFFAOYSA-N
Molecular Weight 232.374 g/mol
SMILES c1(C(CC(SC)SC)=O)cscc1
SPLASH splash10-03di-0900000000-4f05fe680beccd40dcba
Source of Spectrum J-46-3557-0
Wiley ID 1233228