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(4R)-N-(Tert.-butyloxycarbonyl)-N-ethynyl-4-diphenylphosphatoxy-5-methyl-5-nitrohexylamine

View entire compound with spectra: 2 NMR

(4R)-N-(Tert.-butyloxycarbonyl)-N-ethynyl-4-diphenylphosphatoxy-5-methyl-5-nitrohexylamine
SpectraBase Compound ID F4J5SCpJcOF
InChI InChI=1S/C27H35N2O8P/c1-7-20-28(25(30)34-26(2,3)4)21-14-19-24(27(5,6)29(31)32)37-38(33,35-22-15-10-8-11-16-22)36-23-17-12-9-13-18-23/h1,8-13,15-18,24H,14,19-21H2,2-6H3/t24-/m1/s1
InChIKey BQDXXBYBIRRERG-XMMPIXPASA-N
Mol Weight 546.6 g/mol
Molecular Formula C27H35N2O8P
Exact Mass 546.213103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3RKt5bEkfY4
Name (4R)-N-(Tert.-butyloxycarbonyl)-N-ethynyl-4-diphenylphosphatoxy-5-methyl-5-nitrohexylamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.213103085 u
Formula C27H35N2O8P
InChI InChI=1S/C27H35N2O8P/c1-7-20-28(25(30)34-26(2,3)4)21-14-19-24(27(5,6)29(31)32)37-38(33,35-22-15-10-8-11-16-22)36-23-17-12-9-13-18-23/h1,8-13,15-18,24H,14,19-21H2,2-6H3/t24-/m1/s1
InChIKey BQDXXBYBIRRERG-XMMPIXPASA-N
Molecular Weight 546.557 g/mol
SMILES C(N(=O)=O)(C)(C)[C@@](CCCN(CC#C)C(=O)OC(C)(C)C)(OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1)[H]