| SpectraBase Compound ID | 8ZkNRNS8C8r |
|---|---|
| InChI | InChI=1S/C18H31NO4/c1-5-7-8-9-10-11-12-14-22-17(20)16(15(3)4)19-18(21)23-13-6-2/h2,15-16H,5,7-14H2,1,3-4H3,(H,19,21) |
| InChIKey | KOBNTUYUKRICQS-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 | HkkCAVNQeiY |
|---|---|
| Name | L-Valine, N-propargyloxycarbonyl-, nonyl 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/c1-5-7-8-9-10-11-12-14-22-17(20)16(15(3)4)19-18(21)23-13-6-2/h2,15-16H,5,7-14H2,1,3-4H3,(H,19,21) |
| InChIKey | KOBNTUYUKRICQS-UHFFFAOYSA-N |
| Molecular Weight | 325.449 g/mol |
| SMILES | C(NC(OCC#C)=O)(C(OCCCCCCCCC)=O)C(C)C |