| SpectraBase Compound ID | Hq3E6Zh55hk |
|---|---|
| InChI | InChI=1S/C23H45NO3/c1-4-6-8-10-11-12-13-14-16-18-20-27-23(26)21(3)24-22(25)19-17-15-9-7-5-2/h21H,4-20H2,1-3H3,(H,24,25) |
| InChIKey | XHFPCESUXCGRCQ-UHFFFAOYSA-N |
| Mol Weight | 383.6 g/mol |
| Molecular Formula | C23H45NO3 |
| Exact Mass | 383.339944 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C4CN7CIova7 |
|---|---|
| Name | L-Alanine, N-octanoyl-, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.339944310 u |
| Formula | C23H45NO3 |
| InChI | InChI=1S/C23H45NO3/c1-4-6-8-10-11-12-13-14-16-18-20-27-23(26)21(3)24-22(25)19-17-15-9-7-5-2/h21H,4-20H2,1-3H3,(H,24,25) |
| InChIKey | XHFPCESUXCGRCQ-UHFFFAOYSA-N |
| Molecular Weight | 383.617 g/mol |
| SMILES | CCCCCCCC(NC(C)C(OCCCCCCCCCCCC)=O)=O |