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3,3-Bis(methylthio)-1-(3-methoxyphenyl)-1-propanone
SpectraBase Compound ID ILKgOue5ekW
InChI InChI=1S/C12H16O2S2/c1-14-10-6-4-5-9(7-10)11(13)8-12(15-2)16-3/h4-7,12H,8H2,1-3H3
InChIKey AATPPPPOQQKLHM-UHFFFAOYSA-N
Mol Weight 256.38 g/mol
Molecular Formula C12H16O2S2
Exact Mass 256.059172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHMGnKPshas
Name 3,3-Bis(methylthio)-1-(3-methoxyphenyl)-1-propanone
Alternate Name(s) 1-(3-Methoxyphenyl)-3,3-bis(methylsulfanyl)-1-propanone
CAS Registry Number 78018-45-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O2S2
InChI InChI=1S/C12H16O2S2/c1-14-10-6-4-5-9(7-10)11(13)8-12(15-2)16-3/h4-7,12H,8H2,1-3H3
InChIKey AATPPPPOQQKLHM-UHFFFAOYSA-N
Molecular Weight 256.378 g/mol
SMILES C(C(c1cc(OC)ccc1)=O)C(SC)SC
SPLASH splash10-000i-2910000000-745ce06fef05d56f4d3e
Source of Spectrum J-46-3557-0
Wiley ID 1259382