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3-Phenyl-2-methyl-5-hydroxy-4H-benzopyran-4-one - 7-S-thiocarbamate
SpectraBase Compound ID IgycYDrIsTN
InChI InChI=1S/C19H17NO4S/c1-11-16(12-7-5-4-6-8-12)18(22)17-14(21)9-13(10-15(17)24-11)25-19(23)20(2)3/h4-10,21H,1-3H3
InChIKey DWKAVJQBZWRZEZ-UHFFFAOYSA-N
Mol Weight 355.41 g/mol
Molecular Formula C19H17NO4S
Exact Mass 355.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fexq2HJKpT2
Name 3-Phenyl-2-methyl-5-hydroxy-4H-benzopyran-4-one - 7-S-thiocarbamate
Alternate Name(s) Dimethyl-thiocarbamic acid 5-hydroxy-2-methyl-4-oxo-3-phenyl-4H-chromen-7-yl ester N,N-dimethylcarbamothioic acid S-[(5-hydroxy-2-methyl-4-oxo-3-phenyl-1-benzopyran-7-yl)] ester S-(5-hydroxy-2-methyl-4-oxo-3-phenylchromen-7-yl) N,N-dimethylcarbamothioate S-(5-hydroxy-2-methyl-4-oxo-3-phenyl-chromen-7-yl) N,N-dimethylcarbamothioate S-(2-methyl-5-oxidanyl-4-oxidanylidene-3-phenyl-chromen-7-yl) N,N-dimethylcarbamothioate
Comments Less than 3 mono-isotopic peaks
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Formula C19H17NO4S
InChI InChI=1S/C19H17NO4S/c1-11-16(12-7-5-4-6-8-12)18(22)17-14(21)9-13(10-15(17)24-11)25-19(23)20(2)3/h4-10,21H,1-3H3
InChIKey DWKAVJQBZWRZEZ-UHFFFAOYSA-N
Molecular Weight 355.408 g/mol
SMILES Oc1c2C(C(=C(Oc2cc(SC(N(C)C)=O)c1)C)c1ccccc1)=O
SPLASH splash10-00di-9000000000-07ebe42f017542fbe7c0
Source of Spectrum SK-22-1747-30
Wiley ID 852063