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(3aR,14bR)-1,3-dibenzyl-9-(piperidin-1-yl)-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)

(3aR,14bR)-1,3-dibenzyl-9-(piperidin-1-yl)-1,3,3a,14b-tetrahydro-2H-dibenzo[4,5:8,9][1,3,2]dioxaphosphonino[6,7-d]imidazol-2-one
SpectraBase Compound ID 5kNybon2WC6
InChI InChI=1S/C34H34N3O3P/c38-34-36(24-26-14-4-1-5-15-26)32-28-18-8-10-20-30(28)39-41(35-22-12-3-13-23-35)40-31-21-11-9-19-29(31)33(32)37(34)25-27-16-6-2-7-17-27/h1-2,4-11,14-21,32-33H,3,12-13,22-25H2/t32-,33-/m1/s1
InChIKey WRDDFKWIBQPOQW-CZNDPXEESA-N
Mol Weight 563.6 g/mol
Molecular Formula C34H34N3O3P
Exact Mass 563.233779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Akd1uEq1xx9
Name (3aR,14bR)-1,3-dibenzyl-9-(piperidin-1-yl)-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 C34H34N3O3P
InChI InChI=1S/C34H34N3O3P/c38-34-36(24-26-14-4-1-5-15-26)32-28-18-8-10-20-30(28)39-41(35-22-12-3-13-23-35)40-31-21-11-9-19-29(31)33(32)37(34)25-27-16-6-2-7-17-27/h1-2,4-11,14-21,32-33H,3,12-13,22-25H2/t32-,33-/m1/s1
InChIKey WRDDFKWIBQPOQW-CZNDPXEESA-N
Molecular Weight 563.638 g/mol
SMILES c12OP(Oc3c([C@@]4([C@@](c1cccc2)(N(C(N4Cc1ccccc1)=O)Cc1ccccc1)[H])[H])cccc3)N1CCCCC1
SPLASH splash10-0006-9001200000-b8f04212cac2a7cabc9e
Source of Spectrum ACI-50-SM2-(R,R)_L4
Wiley ID 1780094