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S-((6-bromo-4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) O,O-diethyl phosphonate
SpectraBase Compound ID 6tsYcXe0RUn
InChI InChI=1S/C12H15BrN3O3PS2/c1-3-18-20(21,19-4-2)22-8-16-12(17)10-7-9(13)5-6-11(10)14-15-16/h5-7H,3-4,8H2,1-2H3
InChIKey STWRTHKLTPQGIW-UHFFFAOYSA-N
Mol Weight 424.27 g/mol
Molecular Formula C12H15BrN3O3PS2
Exact Mass 422.947584 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ET87KRXMy2T
Name S-((6-bromo-4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) O,O-diethyl phosphonate
Alternate Name(s) S-((6-bromo-4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl) O,O-diethyl P S-[(6-bromo-4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]O,O-diethyl dithiophosphate
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Formula C12H15BrN3O3PS2
InChI InChI=1S/C12H15BrN3O3PS2/c1-3-18-20(21,19-4-2)22-8-16-12(17)10-7-9(13)5-6-11(10)14-15-16/h5-7H,3-4,8H2,1-2H3
InChIKey STWRTHKLTPQGIW-UHFFFAOYSA-N
Molecular Weight 424.268 g/mol
SMILES c12N=NN(C(c2cc(cc1)Br)=O)CSP(=S)(OCC)OCC
SPLASH splash10-03fr-5490000000-24bf3ae4a7f7b536b77e
Source of Spectrum RB-1982-15519-0
Wiley ID 122506