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1,2-Dihydro-4-(4-methoxyphenyl)-1-methyl-6-methylthio-2-phenyl-3H-indazol-3-one
SpectraBase Compound ID 9pnq82I1IxT
InChI InChI=1S/C22H20N2O2S/c1-23-20-14-18(27-3)13-19(15-9-11-17(26-2)12-10-15)21(20)22(25)24(23)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKey YODJMDCSQJPYTA-UHFFFAOYSA-N
Mol Weight 376.47 g/mol
Molecular Formula C22H20N2O2S
Exact Mass 376.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ge783f9DKjc
Name 1,2-Dihydro-4-(4-methoxyphenyl)-1-methyl-6-methylthio-2-phenyl-3H-indazol-3-one
Alternate Name(s) 4-(4-methoxyphenyl)-1-methyl-6-(methylsulfanyl)-2-phenyl-1,2-dihydro-3H-indazol-3-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N2O2S
InChI InChI=1S/C22H20N2O2S/c1-23-20-14-18(27-3)13-19(15-9-11-17(26-2)12-10-15)21(20)22(25)24(23)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKey YODJMDCSQJPYTA-UHFFFAOYSA-N
Molecular Weight 376.474 g/mol
SMILES C1(N(N(c2cc(cc(c12)-c1ccc(cc1)OC)SC)C)c1ccccc1)=O
SPLASH splash10-01t9-0009000000-7e932e20b580ecb676b0
Source of Spectrum F-51-10948-10
Wiley ID 793626