| SpectraBase Compound ID | 3dz5hoDIWau |
|---|---|
| InChI | InChI=1S/C18H31NO4/c1-4-7-9-10-11-12-15-22-17(20)16(13-8-5-2)19-18(21)23-14-6-3/h3,16H,4-5,7-15H2,1-2H3,(H,19,21) |
| InChIKey | IOPFMVIELBZVIQ-UHFFFAOYSA-N |
| Mol Weight | 325.45 g/mol |
| Molecular Formula | C18H31NO4 |
| Exact Mass | 325.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EEKsyZVAWzi |
|---|---|
| Name | L-Norleucine, N-propargyloxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.225308478 u |
| Formula | C18H31NO4 |
| InChI | InChI=1S/C18H31NO4/c1-4-7-9-10-11-12-15-22-17(20)16(13-8-5-2)19-18(21)23-14-6-3/h3,16H,4-5,7-15H2,1-2H3,(H,19,21) |
| InChIKey | IOPFMVIELBZVIQ-UHFFFAOYSA-N |
| Molecular Weight | 325.449 g/mol |
| SMILES | CCCCCCCCOC(C(NC(OCC#C)=O)CCCC)=O |