| SpectraBase Compound ID | 64RG7v720xU |
|---|---|
| InChI | InChI=1S/C23H45NO4/c1-7-8-9-10-11-12-13-14-15-16-17-27-22(25)21(20(4)5)24(6)23(26)28-18-19(2)3/h19-21H,7-18H2,1-6H3 |
| InChIKey | IRHCDHASLQYUSW-UHFFFAOYSA-N |
| Mol Weight | 399.6 g/mol |
| Molecular Formula | C23H45NO4 |
| Exact Mass | 399.334859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 37AqtNBXgPx |
|---|---|
| Name | Valine, N-methyl-N-isobutoxycarbonyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.334858929 u |
| Formula | C23H45NO4 |
| InChI | InChI=1S/C23H45NO4/c1-7-8-9-10-11-12-13-14-15-16-17-27-22(25)21(20(4)5)24(6)23(26)28-18-19(2)3/h19-21H,7-18H2,1-6H3 |
| InChIKey | IRHCDHASLQYUSW-UHFFFAOYSA-N |
| Molecular Weight | 399.616 g/mol |
| SMILES | CC(COC(N(C(C(OCCCCCCCCCCCC)=O)C(C)C)C)=O)C |