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(2R,1'S)-2-[1'-Dibenzylamino)-2'-phenylethyl]-2-butyloxirane

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(2R,1'S)-2-[1'-Dibenzylamino)-2'-phenylethyl]-2-butyloxirane
SpectraBase Compound ID A03kL0STYkr
InChI InChI=1S/C28H33NO/c1-2-3-19-28(23-30-28)27(20-24-13-7-4-8-14-24)29(21-25-15-9-5-10-16-25)22-26-17-11-6-12-18-26/h4-18,27H,2-3,19-23H2,1H3/t27-,28-/m0/s1
InChIKey JWFXOJSBAXAVJZ-NSOVKSMOSA-N
Mol Weight 399.6 g/mol
Molecular Formula C28H33NO
Exact Mass 399.256215 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5QLLGTa4uy
Name (2R,1'S)-2-[1'-Dibenzylamino)-2'-phenylethyl]-2-butyloxirane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.256214686 u
Formula C28H33NO
InChI InChI=1S/C28H33NO/c1-2-3-19-28(23-30-28)27(20-24-13-7-4-8-14-24)29(21-25-15-9-5-10-16-25)22-26-17-11-6-12-18-26/h4-18,27H,2-3,19-23H2,1H3/t27-,28-/m0/s1
InChIKey JWFXOJSBAXAVJZ-NSOVKSMOSA-N
Molecular Weight 399.578 g/mol
SMILES [C@]1(OC1)([C@@](N(CC1=CC=CC=C1)CC1=CC=CC=C1)(CC1=CC=CC=C1)[H])CCCC