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2-keto-3-methyl-3-(phenylthio)indoline-1-carboxylic acid methyl ester
SpectraBase Compound ID KtmAG4xLwTK
InChI InChI=1S/C17H15NO3S/c1-17(22-12-8-4-3-5-9-12)13-10-6-7-11-14(13)18(15(17)19)16(20)21-2/h3-11H,1-2H3
InChIKey LPCSGFSKTTXDCF-UHFFFAOYSA-N
Mol Weight 313.37 g/mol
Molecular Formula C17H15NO3S
Exact Mass 313.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DVS8BM1xmHt
Name 2-keto-3-methyl-3-(phenylthio)indoline-1-carboxylic acid methyl ester
Alternate Name(s) 3-methyl-2-oxo-3-(phenylthio)-1-indolecarboxylic acid methyl ester methyl 3-methyl-2-oxidanylidene-3-phenylsulfanyl-indole-1-carboxylate methyl 3-methyl-2-oxo-3-phenylsulfanyl-indoline-1-carboxylate methyl 3-methyl-2-oxo-3-phenylsulfanylindole-1-carboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C17H15NO3S
InChI InChI=1S/C17H15NO3S/c1-17(22-12-8-4-3-5-9-12)13-10-6-7-11-14(13)18(15(17)19)16(20)21-2/h3-11H,1-2H3
InChIKey LPCSGFSKTTXDCF-UHFFFAOYSA-N
Molecular Weight 313.371 g/mol
SMILES C1(N(c2c(C1(Sc1ccccc1)C)cccc2)C(=O)OC)=O
SPLASH splash10-0udi-0091000000-e384391d6b005705a0d9
Source of Spectrum O1-55-1036-10
Wiley ID 1591231