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O,O-diethyl [(6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2(3),4-
SpectraBase Compound ID BQZa8hUFWAO
InChI InChI=1S/C16H24N3O4PS/c1-3-22-24(21,23-4-2)17-16(25)18-9-12-8-13(11-18)14-6-5-7-15(20)19(14)10-12/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,17,21,25)/t12-,13?/m1/s1
InChIKey IFMWVHFZZYWDGO-PZORYLMUSA-N
Mol Weight 385.42 g/mol
Molecular Formula C16H24N3O4PS
Exact Mass 385.122514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HxN2yn5ECx
Name O,O-diethyl [(6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2(3),4-
Alternate Name(s) Diethyl (6-oxo-7,11-diazatricyclo[7.3.1.0(2,7)]trideca-2,4-dien-11-yl)carbothioylamidophosphate
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Formula C16H24N3O4PS
InChI InChI=1S/C16H24N3O4PS/c1-3-22-24(21,23-4-2)17-16(25)18-9-12-8-13(11-18)14-6-5-7-15(20)19(14)10-12/h5-7,12-13H,3-4,8-11H2,1-2H3,(H,17,21,25)/t12-,13?/m1/s1
InChIKey IFMWVHFZZYWDGO-PZORYLMUSA-N
Molecular Weight 385.419 g/mol
SMILES N(C(N1CC2C3=CC=CC(N3C[C@](C2)(C1)[H])=O)=S)P(OCC)(OCC)=O
SPLASH splash10-0a5d-9600000000-3fba0b7ed7db2850dc68
Wiley ID 1466974