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1,1'-((11bS,12aR,16aR,17aS)-6-(diethylamino)-12a,13,14,15,16,16a-hexahydrodibenzo[4,5:8,9][1,3,2]dioxaphosphonino[6,7-b]quinoxaline-12,17(11bH,17aH)-diyl)diethanone

View entire compound with spectra: 1 MS (GC)

1,1'-((11bS,12aR,16aR,17aS)-6-(diethylamino)-12a,13,14,15,16,16a-hexahydrodibenzo[4,5:8,9][1,3,2]dioxaphosphonino[6,7-b]quinoxaline-12,17(11bH,17aH)-diyl)diethanone
SpectraBase Compound ID En3nLwJ4Ci7
InChI InChI=1S/C28H36N3O4P/c1-5-29(6-2)36-34-25-17-11-7-13-21(25)27-28(22-14-8-12-18-26(22)35-36)31(20(4)33)24-16-10-9-15-23(24)30(27)19(3)32/h7-8,11-14,17-18,23-24,27-28H,5-6,9-10,15-16H2,1-4H3/t23-,24-,27+,28+/m1/s1
InChIKey UCPADYQINFCJGC-ZBVBGGFBSA-N
Mol Weight 509.6 g/mol
Molecular Formula C28H36N3O4P
Exact Mass 509.244344 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J2VIublIM1z
Name 1,1'-((11bS,12aR,16aR,17aS)-6-(diethylamino)-12a,13,14,15,16,16a-hexahydrodibenzo[4,5:8,9][1,3,2]dioxaphosphonino[6,7-b]quinoxaline-12,17(11bH,17aH)-diyl)diethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H36N3O4P
InChI InChI=1S/C28H36N3O4P/c1-5-29(6-2)36-34-25-17-11-7-13-21(25)27-28(22-14-8-12-18-26(22)35-36)31(20(4)33)24-16-10-9-15-23(24)30(27)19(3)32/h7-8,11-14,17-18,23-24,27-28H,5-6,9-10,15-16H2,1-4H3/t23-,24-,27+,28+/m1/s1
InChIKey UCPADYQINFCJGC-ZBVBGGFBSA-N
Literature Reference DOI 10.1002/adsc.200606013
Molecular Weight 509.587 g/mol
SMILES C1CC[C@@]2([C@@]([H])(C1)N([C@@]1([C@](N2C(C)=O)([H])c2c(cccc2)OP(Oc2c1cccc2)N(CC)CC)[H])C(=O)C)[H]
SPLASH splash10-0006-9011200000-a2f33c271f3681f2d432
Source of Spectrum ASC-348-1049/SM5-(2S,3S,5R,6R)_4e
Wiley ID 1765248