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tert-Butyl (R)-{6-Amino-1-[(2,2-diphenylethyl)amino]-1-oxo-hexan-2-yl}carbamate
SpectraBase Compound ID 8OQWeupnpJA
InChI InChI=1S/C25H35N3O3/c1-25(2,3)31-24(30)28-22(16-10-11-17-26)23(29)27-18-21(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,21-22H,10-11,16-18,26H2,1-3H3,(H,27,29)(H,28,30)/t22-/m1/s1
InChIKey XWLAMTDBZDYMIM-JOCHJYFZSA-N
Mol Weight 425.6 g/mol
Molecular Formula C25H35N3O3
Exact Mass 425.267842 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JrurP8HVkFV
Name tert-Butyl (R)-{6-Amino-1-[(2,2-diphenylethyl)amino]-1-oxo-hexan-2-yl}carbamate
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35N3O3
InChI InChI=1S/C25H35N3O3/c1-25(2,3)31-24(30)28-22(16-10-11-17-26)23(29)27-18-21(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,21-22H,10-11,16-18,26H2,1-3H3,(H,27,29)(H,28,30)/t22-/m1/s1
InChIKey XWLAMTDBZDYMIM-JOCHJYFZSA-N
Instrument Name JEOL JMS-GC Mate II
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.5b01965
Molecular Weight 425.573 g/mol
Optical Rotation [a]25D +25.3 (c = 0.93, MeOH)
SMILES N(CC(c1ccccc1)c1ccccc1)C([C@@](CCCCN)(NC(OC(C)(C)C)=O)[H])=O
SPLASH splash10-001i-9410000000-0cc19183ee4894454497
Source of Spectrum AF-59-2237-31
Wiley ID 1843803