| SpectraBase Compound ID | LsVNzEhLPEl |
|---|---|
| InChI | InChI=1S/C18H26N2O3/c1-5-9-16(13(2)3)20-17(21)14(4)19-18(22)23-12-15-10-7-6-8-11-15/h5-8,10-11,13-14,16H,1,9,12H2,2-4H3,(H,19,22)(H,20,21)/t14-,16?/m0/s1 |
| InChIKey | ARDGRQHZEYNIKC-LBAUFKAWSA-N |
| Mol Weight | 318.42 g/mol |
| Molecular Formula | C18H26N2O3 |
| Exact Mass | 318.194343 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | A2TWo5K15AO |
|---|---|
| Name | (2S)-2-[(Benzyloxycarbonyl)amino-N(1)-(1'-isopropylbut-3'-enyl)propionamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.194342702 u |
| Formula | C18H26N2O3 |
| InChI | InChI=1S/C18H26N2O3/c1-5-9-16(13(2)3)20-17(21)14(4)19-18(22)23-12-15-10-7-6-8-11-15/h5-8,10-11,13-14,16H,1,9,12H2,2-4H3,(H,19,22)(H,20,21)/t14-,16?/m0/s1 |
| InChIKey | ARDGRQHZEYNIKC-LBAUFKAWSA-N |
| Molecular Weight | 318.417 g/mol |
| SMILES | C(NC(C(C)C)CC=C)([C@@](NC(=O)OCC1=CC=CC=C1)(C)[H])=O |