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(3aS,14bS)-1,3-dibenzyl-9-(isopropylamino)-1,3,3a,14b-tetrahydro-2H-dibenzo[4,5:8,9][1,3,2]dioxaphosphonino[6,7-d]imidazol-2-one

View entire compound with spectra: 1 MS (GC)

(3aS,14bS)-1,3-dibenzyl-9-(isopropylamino)-1,3,3a,14b-tetrahydro-2H-dibenzo[4,5:8,9][1,3,2]dioxaphosphonino[6,7-d]imidazol-2-one
SpectraBase Compound ID CWjVpmoC4oC
InChI InChI=1S/C32H32N3O3P/c1-23(2)33-39-37-28-19-11-9-17-26(28)30-31(27-18-10-12-20-29(27)38-39)35(22-25-15-7-4-8-16-25)32(36)34(30)21-24-13-5-3-6-14-24/h3-20,23,30-31,33H,21-22H2,1-2H3/t30-,31-/m0/s1
InChIKey BCETWASHTOCOMG-CONSDPRKSA-N
Mol Weight 537.6 g/mol
Molecular Formula C32H32N3O3P
Exact Mass 537.218129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWtdVDEuKPT
Name (3aS,14bS)-1,3-dibenzyl-9-(isopropylamino)-1,3,3a,14b-tetrahydro-2H-dibenzo[4,5:8,9][1,3,2]dioxaphosphonino[6,7-d]imidazol-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32N3O3P
InChI InChI=1S/C32H32N3O3P/c1-23(2)33-39-37-28-19-11-9-17-26(28)30-31(27-18-10-12-20-29(27)38-39)35(22-25-15-7-4-8-16-25)32(36)34(30)21-24-13-5-3-6-14-24/h3-20,23,30-31,33H,21-22H2,1-2H3/t30-,31-/m0/s1
InChIKey BCETWASHTOCOMG-CONSDPRKSA-N
Literature Reference DOI 10.1002/anie.201104912
Molecular Weight 537.600 g/mol
SMILES N(P1Oc2c([C@]3([C@@](N(Cc4ccccc4)C(=O)N3Cc3ccccc3)(c3c(cccc3)O1)[H])[H])cccc2)C(C)C
SPLASH splash10-0006-9101100000-0cfe26a9e252d1df1d11
Source of Spectrum ACI-50-SM3-(S,S)_L8
Wiley ID 1780096