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3-Phenyl-4H-benzopyran-4-one - 7-O-thiocarbamate
SpectraBase Compound ID LGjpRp28hJb
InChI InChI=1S/C18H15NO3S/c1-19(2)18(23)22-13-8-9-14-16(10-13)21-11-15(17(14)20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey KLLQLVYSHXTLFI-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 KNwRdzNV2zN
Name 3-Phenyl-4H-benzopyran-4-one - 7-O-thiocarbamate
Alternate Name(s) Dimethyl-thiocarbamic acid 4-oxo-3-phenyl-4H-chromen-7-yl ester N,N-dimethylcarbamothioic acid O-[(4-oxo-3-phenyl-1-benzopyran-7-yl)] ester O-(4-oxo-3-phenylchromen-7-yl) N,N-dimethylcarbamothioate O-(4-oxo-3-phenyl-chromen-7-yl) N,N-dimethylcarbamothioate O-(4-oxidanylidene-3-phenyl-chromen-7-yl) N,N-dimethylcarbamothioate
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Formula C18H15NO3S
InChI InChI=1S/C18H15NO3S/c1-19(2)18(23)22-13-8-9-14-16(10-13)21-11-15(17(14)20)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKey KLLQLVYSHXTLFI-UHFFFAOYSA-N
Molecular Weight 325.382 g/mol
SMILES C=1(C(c2ccc(OC(=S)N(C)C)cc2OC1)=O)c1ccccc1
SPLASH splash10-00dr-9001000000-5b1430476c36078e9da5
Source of Spectrum SK-22-1746-22
Wiley ID 852071