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3-Phenyl-4H-benzopyran-4-one - 7-S-thiocarbamate
SpectraBase Compound ID IR3ahFvIbiT
InChI InChI=1S/C18H15NO3S/c1-19(2)18(21)23-13-8-9-14-16(10-13)22-11-15(17(14)20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey PWVLUCMZIOWYCP-UHFFFAOYSA-N
Mol Weight 325.38 g/mol
Molecular Formula C18H15NO3S
Exact Mass 325.077265 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XxCPdDVXgg
Name 3-Phenyl-4H-benzopyran-4-one - 7-S-thiocarbamate
Alternate Name(s) Dimethyl-thiocarbamic acid 4-oxo-3-phenyl-4H-chromen-7-yl ester N,N-dimethylcarbamothioic acid S-[(4-oxo-3-phenyl-1-benzopyran-7-yl)] ester S-(4-oxo-3-phenylchromen-7-yl) N,N-dimethylcarbamothioate S-(4-oxo-3-phenyl-chromen-7-yl) N,N-dimethylcarbamothioate S-(4-oxidanylidene-3-phenyl-chromen-7-yl) N,N-dimethylcarbamothioate
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Formula C18H15NO3S
InChI InChI=1S/C18H15NO3S/c1-19(2)18(21)23-13-8-9-14-16(10-13)22-11-15(17(14)20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey PWVLUCMZIOWYCP-UHFFFAOYSA-N
Molecular Weight 325.382 g/mol
SMILES C=1(C(c2ccc(SC(N(C)C)=O)cc2OC1)=O)c1ccccc1
SPLASH splash10-00di-9001000000-7892be3287eb191b31c8
Source of Spectrum SK-22-1746-27
Wiley ID 852066