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Benzyl tert-Butyl-{6-[(2,2-diphenylethyl)amino]-6-oxohex-ane-1,5-diyl}-(S)-dicarbamate
SpectraBase Compound ID KPqfqJfH3Qh
InChI InChI=1S/C33H41N3O5/c1-33(2,3)41-32(39)36-29(21-13-14-22-34-31(38)40-24-25-15-7-4-8-16-25)30(37)35-23-28(26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-12,15-20,28-29H,13-14,21-24H2,1-3H3,(H,34,38)(H,35,37)(H,36,39)/t29-/m0/s1
InChIKey FPZPNSNCEPIRTR-LJAQVGFWSA-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 3vO9S2XpWv9
Name Benzyl tert-Butyl-{6-[(2,2-diphenylethyl)amino]-6-oxohexane-1,5-diyl}-(S)-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)41-32(39)36-29(21-13-14-22-34-31(38)40-24-25-15-7-4-8-16-25)30(37)35-23-28(26-17-9-5-10-18-26)27-19-11-6-12-20-27/h4-12,15-20,28-29H,13-14,21-24H2,1-3H3,(H,34,38)(H,35,37)(H,36,39)/t29-/m0/s1
InChIKey FPZPNSNCEPIRTR-LJAQVGFWSA-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 = -19.0 (c = 0.97, MeOH)
SMILES N(CC(c1ccccc1)c1ccccc1)C([C@](CCCCNC(=O)OCc1ccccc1)(NC(=O)OC(C)(C)C)[H])=O
SPLASH splash10-000x-9300000000-724b69a39e3db2f6c470
Source of Spectrum AF-59-2232-1
Wiley ID 1843799