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tert-Butyl (R)-{5-Amino-6-[(2,2-diphenylethyl)amino]-6- oxohexyl}carbamate
SpectraBase Compound ID 1VmO6XAUaKR
InChI InChI=1S/C25H35N3O3/c1-25(2,3)31-24(30)27-17-11-10-16-22(26)23(29)28-18-21(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,27,30)(H,28,29)/t22-/m1/s1
InChIKey IVLJLFFRQWUGQR-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 1HHSzlSoqw0
Name tert-Butyl (R)-{5-Amino-6-[(2,2-diphenylethyl)amino]-6- oxohexyl}carbamate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H35N3O3
InChI InChI=1S/C25H35N3O3/c1-25(2,3)31-24(30)27-17-11-10-16-22(26)23(29)28-18-21(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,27,30)(H,28,29)/t22-/m1/s1
InChIKey IVLJLFFRQWUGQR-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]24D = +2.8 (c = 1.0, MeOH)
SMILES N(C(OC(C)(C)C)=O)CCCC[C@](C(NCC(c1ccccc1)c1ccccc1)=O)(N)[H]
SPLASH splash10-001i-9520000000-b927d9d7c79656d88395
Source of Spectrum AF-59-2239-39
Wiley ID 1843807