| SpectraBase Compound ID | 8PKFMPQNZEH |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-6-7-8-9-10-11-12-13-14-15-16-26-21(24)20(19(4)5)23-22(25)27-17-18(2)3/h18-20H,6-17H2,1-5H3,(H,23,25) |
| InChIKey | PSFSWEOUHPAPRW-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 | 380Wgvj3Ol8 |
|---|---|
| Name | L-Valine, N-isobutoxycarbonyl-, dodecyl 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/c1-6-7-8-9-10-11-12-13-14-15-16-26-21(24)20(19(4)5)23-22(25)27-17-18(2)3/h18-20H,6-17H2,1-5H3,(H,23,25) |
| InChIKey | PSFSWEOUHPAPRW-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | CC(C)COC(NC(C(OCCCCCCCCCCCC)=O)C(C)C)=O |