| SpectraBase Compound ID | APpRY30wudA |
|---|---|
| InChI | InChI=1S/C24H31NO5/c1-24(2,3)30-23(27)25-21(22(26)29-17-19-9-6-5-7-10-19)12-8-11-18-13-15-20(28-4)16-14-18/h5-7,9-10,13-16,21H,8,11-12,17H2,1-4H3,(H,25,27)/t21-/m0/s1 |
| InChIKey | WUQVRRAIKNMGOQ-NRFANRHFSA-N |
| Mol Weight | 413.51 g/mol |
| Molecular Formula | C24H31NO5 |
| Exact Mass | 413.220223 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LYlLPQu0mmp |
|---|---|
| Name | Benzyl 2-(S)-((tert-butoxycarbonyl)amino)-5-(4'-methoxyphenyl)pentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 413.220223097 u |
| Formula | C24H31NO5 |
| InChI | InChI=1S/C24H31NO5/c1-24(2,3)30-23(27)25-21(22(26)29-17-19-9-6-5-7-10-19)12-8-11-18-13-15-20(28-4)16-14-18/h5-7,9-10,13-16,21H,8,11-12,17H2,1-4H3,(H,25,27)/t21-/m0/s1 |
| InChIKey | WUQVRRAIKNMGOQ-NRFANRHFSA-N |
| Molecular Weight | 413.514 g/mol |
| SMILES | C(N[C@](C(OCC=1C=CC=CC1)=O)(CCCC=1C=CC(=CC1)OC)[H])(OC(C)(C)C)=O |