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6-Bromo-3-[(l-pyrrolidinylthiocarbamoylthio)acetyl]coumarin
SpectraBase Compound ID DvRefTQrem4
InChI InChI=1S/C16H14BrNO3S2/c17-11-3-4-14-10(7-11)8-12(15(20)21-14)13(19)9-23-16(22)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6,9H2
InChIKey RPKAGYNMUIFSDZ-UHFFFAOYSA-N
Mol Weight 412.32 g/mol
Molecular Formula C16H14BrNO3S2
Exact Mass 410.959849 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DLe72C2yG
Name 6-Bromo-3-[(l-pyrrolidinylthiocarbamoylthio)acetyl]coumarin
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Formula C16H14BrNO3S2
InChI InChI=1S/C16H14BrNO3S2/c17-11-3-4-14-10(7-11)8-12(15(20)21-14)13(19)9-23-16(22)18-5-1-2-6-18/h3-4,7-8H,1-2,5-6,9H2
InChIKey RPKAGYNMUIFSDZ-UHFFFAOYSA-N
Molecular Weight 412.316 g/mol
SMILES C=1(C(Oc2c(C1)cc(cc2)Br)=O)C(CSC(N1CCCC1)=S)=O
SPLASH splash10-0229-8951100000-cf687ff9cc06cc0d6b38
Source of Spectrum EMC-31-645-5a
Synonyms 2-(6-bromo-2-oxo-2H-chromen-3-yl)-2-oxoethyl pyrrolidine-1-carbodithioate 1-Pyrrolidinecarbodithioic acid [2-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-oxoethyl] ester [2-(6-bromo-2-oxochromen-3-yl)-2-oxoethyl] pyrrolidine-1-carbodithioate [2-(6-bromo-2-oxo-chromen-3-yl)-2-oxo-ethyl] pyrrolidine-1-carbodithioate [2-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-ethyl] pyrrolidine-1-carbodithioate
Wiley ID 1734271