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3-[3',4'-(Methylenedioxy)phenyl]-4H-benzopyran-4-one - 7-S-thiocarbamate
SpectraBase Compound ID LwuKP6E9oPX
InChI InChI=1S/C19H15NO5S/c1-20(2)19(22)26-12-4-5-13-16(8-12)23-9-14(18(13)21)11-3-6-15-17(7-11)25-10-24-15/h3-9H,10H2,1-2H3
InChIKey CJQHNWJFTJECGA-UHFFFAOYSA-N
Mol Weight 369.39 g/mol
Molecular Formula C19H15NO5S
Exact Mass 369.067094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 322dfxS0IXp
Name 3-[3',4'-(Methylenedioxy)phenyl]-4H-benzopyran-4-one - 7-S-thiocarbamate
Alternate Name(s) Dimethyl-thiocarbamic acid 3-benzo[1,3]dioxol-5-yl-4-oxo-4H-chromen-7-yl ester N,N-dimethylcarbamothioic acid S-[[3-(1,3-benzodioxol-5-yl)-4-oxo-1-benzopyran-7-yl]] ester S-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-7-yl] N,N-dimethylcarbamothioate S-[3-(1,3-benzodioxol-5-yl)-4-oxo-chromen-7-yl] N,N-dimethylcarbamothioate S-[3-(1,3-benzodioxol-5-yl)-4-oxidanylidene-chromen-7-yl] N,N-dimethylcarbamothioate
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Formula C19H15NO5S
InChI InChI=1S/C19H15NO5S/c1-20(2)19(22)26-12-4-5-13-16(8-12)23-9-14(18(13)21)11-3-6-15-17(7-11)25-10-24-15/h3-9H,10H2,1-2H3
InChIKey CJQHNWJFTJECGA-UHFFFAOYSA-N
Molecular Weight 369.391 g/mol
SMILES C=1(C(c2ccc(SC(N(C)C)=O)cc2OC1)=O)c1cc2OCOc2cc1
SPLASH splash10-05o0-0914000000-dcdd4fa8d293ceaaf319
Source of Spectrum SK-22-1746-28
Wiley ID 852065