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(4R)-N-Benzyl-N-(tert.-butyloxycarbonyl)-2,2-dibenzyl-4-diphenylphosphatoxy-5-methyl-5-nitrohexylamine

View entire compound with spectra: 2 NMR

(4R)-N-Benzyl-N-(tert.-butyloxycarbonyl)-2,2-dibenzyl-4-diphenylphosphatoxy-5-methyl-5-nitrohexylamine
SpectraBase Compound ID 1leqctM8vK2
InChI InChI=1S/C45H51N2O8P/c1-43(2,3)52-42(48)46(34-38-25-15-8-16-26-38)35-45(31-36-21-11-6-12-22-36,32-37-23-13-7-14-24-37)33-41(44(4,5)47(49)50)55-56(51,53-39-27-17-9-18-28-39)54-40-29-19-10-20-30-40/h6-30,41H,31-35H2,1-5H3/t41-/m1/s1
InChIKey YNMDAYHORVTSKI-VQJSHJPSSA-N
Mol Weight 778.9 g/mol
Molecular Formula C45H51N2O8P
Exact Mass 778.338304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9jkwE5q7D19
Name (4R)-N-Benzyl-N-(tert.-butyloxycarbonyl)-2,2-dibenzyl-4-diphenylphosphatoxy-5-methyl-5-nitrohexylamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 778.338303600 u
Formula C45H51N2O8P
InChI InChI=1S/C45H51N2O8P/c1-43(2,3)52-42(48)46(34-38-25-15-8-16-26-38)35-45(31-36-21-11-6-12-22-36,32-37-23-13-7-14-24-37)33-41(44(4,5)47(49)50)55-56(51,53-39-27-17-9-18-28-39)54-40-29-19-10-20-30-40/h6-30,41H,31-35H2,1-5H3/t41-/m1/s1
InChIKey YNMDAYHORVTSKI-VQJSHJPSSA-N
Molecular Weight 778.883 g/mol
SMILES C(N(=O)=O)(C)(C)[C@@](CC(CN(CC1=CC=CC=C1)C(=O)OC(C)(C)C)(CC1=CC=CC=C1)CC1=CC=CC=C1)(OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1)[H]