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Benzyl tert-Butyl-{6-[(2,2-diphenylethyl)amino]-6-oxohex-ane-1,5-diyl}-(R)-dicarbamate
SpectraBase Compound ID 8CDWU3KS5tC
InChI InChI=1S/C33H41N3O5/c1-33(2,3)29(36-32(40)41-23-24-14-7-4-8-15-24)21-13-20-28(35-31(38)39)30(37)34-22-27(25-16-9-5-10-17-25)26-18-11-6-12-19-26/h4-12,14-19,27-29,35H,13,20-23H2,1-3H3,(H,34,37)(H,36,40)(H,38,39)/t28-,29?/m1/s1
InChIKey UWZZFYPYEPLYAT-FICMROCWSA-N
Mol Weight 559.7 g/mol
Molecular Formula C33H41N3O5
Exact Mass 559.304621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9HmQEYJZBp
Name Benzyl tert-Butyl-{6-[(2,2-diphenylethyl)amino]-6-oxohex-ane-1,5-diyl}-(R)-dicarbamate
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H41N3O5
InChI InChI=1S/C33H41N3O5/c1-33(2,3)29(36-32(40)41-23-24-14-7-4-8-15-24)21-13-20-28(35-31(38)39)30(37)34-22-27(25-16-9-5-10-17-25)26-18-11-6-12-19-26/h4-12,14-19,27-29,35H,13,20-23H2,1-3H3,(H,34,37)(H,36,40)(H,38,39)/t28-,29?/m1/s1
InChIKey UWZZFYPYEPLYAT-FICMROCWSA-N
Instrument Name JEOL JMS-GC Mate II
Ionization Type EI
Literature Reference DOI 10.1021/acs.jmedchem.5b01965
Molecular Weight 559.707 g/mol
Optical Rotation [a]25D = +20.1 (c =0.66, MeOH)
SMILES N(C(OCc1ccccc1)=O)C(CCC[C@](C(NCC(c1ccccc1)c1ccccc1)=O)(NC(=O)O)[H])C(C)(C)C
SPLASH splash10-0536-9300000000-324b627824987b35deeb
Source of Spectrum AF-59-2237-30
Wiley ID 1843802