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3,3-Bis(methylthio)-1-(2,3,4-trimethoxyphenyl)-1-propanone
SpectraBase Compound ID JxJZbO8vi1V
InChI InChI=1S/C14H20O4S2/c1-16-11-7-6-9(13(17-2)14(11)18-3)10(15)8-12(19-4)20-5/h6-7,12H,8H2,1-5H3
InChIKey HQXSVJYNFLEIHB-UHFFFAOYSA-N
Mol Weight 316.43 g/mol
Molecular Formula C14H20O4S2
Exact Mass 316.080301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6OzuUTDtDtR
Name 3,3-Bis(methylthio)-1-(2,3,4-trimethoxyphenyl)-1-propanone
Alternate Name(s) 3,3-bis(methylsulfanyl)-1-(2,3,4-trimethoxyphenyl)-1-propanone
CAS Registry Number 78018-46-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O4S2
InChI InChI=1S/C14H20O4S2/c1-16-11-7-6-9(13(17-2)14(11)18-3)10(15)8-12(19-4)20-5/h6-7,12H,8H2,1-5H3
InChIKey HQXSVJYNFLEIHB-UHFFFAOYSA-N
Molecular Weight 316.430 g/mol
SMILES c1(c(c(OC)c(cc1)OC)OC)C(CC(SC)SC)=O
SPLASH splash10-0002-0900000000-1682bbcdbca077ac6e79
Source of Spectrum J-46-3557-0
Wiley ID 1316459