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((11bS,12aR,16aR,17aS)-6-(dimethylamino)-12a,13,14,15,16,16a-hexahydrodibenzo[4,5:8,9][1,3,2]dioxaphosphonino[6,7-b]quinoxaline-12,17(11bH,17aH)-diyl)bis(phenylmethanone)
SpectraBase Compound ID 3SSpk2JNg2L
InChI InChI=1S/C36H36N3O4P/c1-37(2)44-42-31-23-13-9-19-27(31)33-34(28-20-10-14-24-32(28)43-44)39(36(41)26-17-7-4-8-18-26)30-22-12-11-21-29(30)38(33)35(40)25-15-5-3-6-16-25/h3-10,13-20,23-24,29-30,33-34H,11-12,21-22H2,1-2H3/t29-,30-,33+,34+/m1/s1
InChIKey DQVOUIDHSWAIPQ-LQKJHIRSSA-N
Mol Weight 605.7 g/mol
Molecular Formula C36H36N3O4P
Exact Mass 605.244344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J1UiMgnGWxd
Name ((11bS,12aR,16aR,17aS)-6-(dimethylamino)-12a,13,14,15,16,16a-hexahydrodibenzo[4,5:8,9][1,3,2]dioxaphosphonino[6,7-b]quinoxaline-12,17(11bH,17aH)-diyl)bis(phenylmethanone)
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Formula C36H36N3O4P
InChI InChI=1S/C36H36N3O4P/c1-37(2)44-42-31-23-13-9-19-27(31)33-34(28-20-10-14-24-32(28)43-44)39(36(41)26-17-7-4-8-18-26)30-22-12-11-21-29(30)38(33)35(40)25-15-5-3-6-16-25/h3-10,13-20,23-24,29-30,33-34H,11-12,21-22H2,1-2H3/t29-,30-,33+,34+/m1/s1
InChIKey DQVOUIDHSWAIPQ-LQKJHIRSSA-N
Molecular Weight 605.675 g/mol
SMILES C1CC[C@@]2([C@@]([H])(C1)N(C(=O)c1ccccc1)[C@]1(c3c(cccc3)OP(Oc3ccccc3[C@]1([H])N2C(c1ccccc1)=O)N(C)C)[H])[H]
SPLASH splash10-0a4i-0900000000-138585f81242ad268099
Source of Spectrum ASC-348-1049/SM4-(2S,3S,5R,6R)_4b
Wiley ID 1765247