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1-(2-Chloroethyl)-2-[(2-chloroethyl)amino]-3-methyl-2,3-dihydro-1,3,2-benzodiazaphosphinin-4(1H)-one 2-oxide
SpectraBase Compound ID BFhzsstjwv3
InChI InChI=1S/C12H16Cl2N3O2P/c1-16-12(18)10-4-2-3-5-11(10)17(9-7-14)20(16,19)15-8-6-13/h2-5H,6-9H2,1H3,(H,15,19)
InChIKey ITXYTUCXRNLDAG-UHFFFAOYSA-N
Mol Weight 336.16 g/mol
Molecular Formula C12H16Cl2N3O2P
Exact Mass 335.035719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6pw3xKL6V1b
Name 1-(2-Chloroethyl)-2-[(2-chloroethyl)amino]-3-methyl-2,3-dihydro-1,3,2-benzodiazaphosphinin-4(1H)-one 2-oxide
Alternate Name(s) 1-(2-Chloroethyl)-2-((2-chloroethyl)amino)-3-methyl-3-hydrobenzo[d][1,3,2]diazaphosphinin-4(1H)-one 2-oxide
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Formula C12H16Cl2N3O2P
InChI InChI=1S/C12H16Cl2N3O2P/c1-16-12(18)10-4-2-3-5-11(10)17(9-7-14)20(16,19)15-8-6-13/h2-5H,6-9H2,1H3,(H,15,19)
InChIKey ITXYTUCXRNLDAG-UHFFFAOYSA-N
Literature Reference DOI 10.1002_(SICI)1521-3749(200002)626_2_412
Molecular Weight 336.159 g/mol
SMILES N(P1(N(C(c2ccccc2N1CCCl)=O)C)=O)CCCl
SPLASH splash10-0550-0092000000-90491da65b44c77dfc40
Source of Spectrum DZ-626-418-16
Wiley ID 1798221