| SpectraBase Compound ID | Byaopt9fLD5 |
|---|---|
| InChI | InChI=1S/C22H43NO5/c1-6-7-8-9-10-11-12-13-14-15-16-27-21(24)20(19(2)3)23(4)22(25)28-18-17-26-5/h19-20H,6-18H2,1-5H3 |
| InChIKey | FAQMZLGSVTWZGN-UHFFFAOYSA-N |
| Mol Weight | 401.6 g/mol |
| Molecular Formula | C22H43NO5 |
| Exact Mass | 401.314123 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | N0FUzUiyyw |
|---|---|
| Name | Valine, N-methyl-N-(2-methoxyethoxycarbonyl)-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 401.314123484 u |
| Formula | C22H43NO5 |
| InChI | InChI=1S/C22H43NO5/c1-6-7-8-9-10-11-12-13-14-15-16-27-21(24)20(19(2)3)23(4)22(25)28-18-17-26-5/h19-20H,6-18H2,1-5H3 |
| InChIKey | FAQMZLGSVTWZGN-UHFFFAOYSA-N |
| Molecular Weight | 401.588 g/mol |
| SMILES | COCCOC(N(C(C(OCCCCCCCCCCCC)=O)C(C)C)C)=O |