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3,3'-(propane-1,3-diyl)bis(2-(bis(2-chloroethyl)amino)-1-methyl-2,3-dihydrobenzo[d][1,3,2]diazaphosphinin-4(1H)-one)
SpectraBase Compound ID 8aBJbUFQYWC
InChI InChI=1S/C27H36Cl4N6O2P2/c1-32-24-10-5-3-8-22(24)26(38)36(40(32)34(18-12-28)19-13-29)16-7-17-37-27(39)23-9-4-6-11-25(23)33(2)41(37)35(20-14-30)21-15-31/h3-6,8-11H,7,12-21H2,1-2H3
InChIKey ILKYKPYBRGVSHK-UHFFFAOYSA-N
Mol Weight 680.4 g/mol
Molecular Formula C27H36Cl4N6O2P2
Exact Mass 678.112909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qNOYFweuJb
Name 3,3'-(propane-1,3-diyl)bis(2-(bis(2-chloroethyl)amino)-1-methyl-2,3-dihydrobenzo[d][1,3,2]diazaphosphinin-4(1H)-one)
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Formula C27H36Cl4N6O2P2
InChI InChI=1S/C27H36Cl4N6O2P2/c1-32-24-10-5-3-8-22(24)26(38)36(40(32)34(18-12-28)19-13-29)16-7-17-37-27(39)23-9-4-6-11-25(23)33(2)41(37)35(20-14-30)21-15-31/h3-6,8-11H,7,12-21H2,1-2H3
InChIKey ILKYKPYBRGVSHK-UHFFFAOYSA-N
Molecular Weight 680.385 g/mol
SMILES c1ccc2N(C)P(N(CCCl)CCCl)N(CCCN3P(N(CCCl)CCCl)N(C)c4ccccc4C3=O)C(=O)c2c1
SPLASH splash10-0006-9000000000-208d7f354a200dac9044
Source of Spectrum DZ-626-1769-2b
Wiley ID 1798289