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3,3'-(butane-1,4-diyl)bis(2-(bis(2-chloroethyl)amino)-1-methyl-2,3-dihydrobenzo[d][1,3,2]diazaphosphinin-4(1H)-one)
SpectraBase Compound ID 5FickXMLWfl
InChI InChI=1S/C28H38Cl4N6O2P2/c1-33-25-11-5-3-9-23(25)27(39)37(41(33)35(19-13-29)20-14-30)17-7-8-18-38-28(40)24-10-4-6-12-26(24)34(2)42(38)36(21-15-31)22-16-32/h3-6,9-12H,7-8,13-22H2,1-2H3
InChIKey QHOQIPJWUSXPOK-UHFFFAOYSA-N
Mol Weight 694.4 g/mol
Molecular Formula C28H38Cl4N6O2P2
Exact Mass 692.128559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YXNQ0VqLf0
Name 3,3'-(butane-1,4-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 C28H38Cl4N6O2P2
InChI InChI=1S/C28H38Cl4N6O2P2/c1-33-25-11-5-3-9-23(25)27(39)37(41(33)35(19-13-29)20-14-30)17-7-8-18-38-28(40)24-10-4-6-12-26(24)34(2)42(38)36(21-15-31)22-16-32/h3-6,9-12H,7-8,13-22H2,1-2H3
InChIKey QHOQIPJWUSXPOK-UHFFFAOYSA-N
Molecular Weight 694.412 g/mol
SMILES C1(N(P(N(c2c1cccc2)C)N(CCCl)CCCl)CCCCN1C(c2ccccc2N(P1N(CCCl)CCCl)C)=O)=O
SPLASH splash10-00os-2700090000-85e407fe6fe3adf20458
Source of Spectrum DZ-626-1769-2c
Wiley ID 1798290