| SpectraBase Compound ID | 4kDzYndnxKE |
|---|---|
| InChI | InChI=1S/C18H35NO4/c1-7-8-9-10-11-12-22-17(20)16(15(4)5)19(6)18(21)23-13-14(2)3/h14-16H,7-13H2,1-6H3 |
| InChIKey | ZRNDYMOBMJTIRF-UHFFFAOYSA-N |
| Mol Weight | 329.5 g/mol |
| Molecular Formula | C18H35NO4 |
| Exact Mass | 329.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3O4luEjZGZq |
|---|---|
| Name | Valine, N-methyl-N-isobutoxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.256608607 u |
| Formula | C18H35NO4 |
| InChI | InChI=1S/C18H35NO4/c1-7-8-9-10-11-12-22-17(20)16(15(4)5)19(6)18(21)23-13-14(2)3/h14-16H,7-13H2,1-6H3 |
| InChIKey | ZRNDYMOBMJTIRF-UHFFFAOYSA-N |
| Molecular Weight | 329.481 g/mol |
| SMILES | CC(COC(N(C(C(OCCCCCCC)=O)C(C)C)C)=O)C |