![Benzyl tert-Butyl-{6-[(2,2-diphenylethyl)amino]-6-oxohex-ane-1,5-diyl}-(S)-dicarbamate](/api/spectrum/7o7Nyib0HkW/structure.png?h=300&w=458 "Benzyl tert-Butyl-{6-[(2,2-diphenylethyl)amino]-6-oxohex-ane-1,5-diyl}-(S)-dicarbamate")
| SpectraBase Compound ID | Hq9I57H5XGt |
|---|---|
| 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?/m0/s1 |
| InChIKey | UWZZFYPYEPLYAT-XLTVJXRZSA-N |
| Mol Weight | 559.7 g/mol |
| Molecular Formula | C33H41N3O5 |
| Exact Mass | 559.304621 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7o7Nyib0HkW |
|---|---|
| Name | Benzyl tert-Butyl-{6-[(2,2-diphenylethyl)amino]-6-oxohex-ane-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)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?/m0/s1 |
| InChIKey | UWZZFYPYEPLYAT-XLTVJXRZSA-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 |
| SMILES | N(C(OCc1ccccc1)=O)C(CCC[C@@](C(NCC(c1ccccc1)c1ccccc1)=O)(NC(=O)O)[H])C(C)(C)C |
| SPLASH | splash10-001l-9800000000-3eecabad53bd3365b3c3 |
| Source of Spectrum | AF-59-2238-36 |
| Wiley ID | 1843805 |