| SpectraBase Compound ID | 62O8ByXoxxa |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-6-8-10-12-14-16-18-27-22(25)23(5)20(19(3)4)21(24)26-17-15-13-11-9-7-2/h19-20H,6-18H2,1-5H3 |
| InChIKey | GOMCEWCKVJIQJN-UHFFFAOYSA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C22H43NO4 |
| Exact Mass | 385.319209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFcHbqsWESZ |
|---|---|
| Name | dl-Valine, N-methyl-N-octyloxycarbonyl-, heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.319208865 u |
| Formula | C22H43NO4 |
| InChI | InChI=1S/C22H43NO4/c1-6-8-10-12-14-16-18-27-22(25)23(5)20(19(3)4)21(24)26-17-15-13-11-9-7-2/h19-20H,6-18H2,1-5H3 |
| InChIKey | GOMCEWCKVJIQJN-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | C(C(C(OCCCCCCC)=O)N(C)C(=O)OCCCCCCCC)(C)C |