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(3S,6S)-N-Benzyl-2-methyl-2-nitro-3-(diphenylphosphatoxy)-6-heptylamine

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(3S,6S)-N-Benzyl-2-methyl-2-nitro-3-(diphenylphosphatoxy)-6-heptylamine
SpectraBase Compound ID IydIX45YsNq
InChI InChI=1S/C27H33N2O6P/c1-22(28-21-23-13-7-4-8-14-23)19-20-26(27(2,3)29(30)31)35-36(32,33-24-15-9-5-10-16-24)34-25-17-11-6-12-18-25/h4-18,22,26,28H,19-21H2,1-3H3/t22-,26+/m1/s1
InChIKey DYTFZXZRNDTMIQ-GJZUVCINSA-N
Mol Weight 512.5 g/mol
Molecular Formula C27H33N2O6P
Exact Mass 512.207624 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eLyOEsy0bQ
Name (3S,6S)-N-Benzyl-2-methyl-2-nitro-3-(diphenylphosphatoxy)-6-heptylamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 512.207623783 u
Formula C27H33N2O6P
InChI InChI=1S/C27H33N2O6P/c1-22(28-21-23-13-7-4-8-14-23)19-20-26(27(2,3)29(30)31)35-36(32,33-24-15-9-5-10-16-24)34-25-17-11-6-12-18-25/h4-18,22,26,28H,19-21H2,1-3H3/t22-,26+/m1/s1
InChIKey DYTFZXZRNDTMIQ-GJZUVCINSA-N
Molecular Weight 512.543 g/mol
SMILES C(N[C@](C)(CC[C@@](C(N(=O)=O)(C)C)(OP(=O)(OC1=CC=CC=C1)OC1=CC=CC=C1)[H])[H])C1=CC=CC=C1