| SpectraBase Spectrum ID |
6XK8fRUy0wX |
| Name |
L-Proline, N-isobutoxycarbonyl-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.319208865 u |
| Formula |
C23H43NO4 |
| InChI |
InChI=1S/C23H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-18-27-22(25)21-16-15-17-24(21)23(26)28-19-20(2)3/h20-21H,4-19H2,1-3H3 |
| InChIKey |
XVNATDQLBHDHKZ-UHFFFAOYSA-N |
| Molecular Weight |
397.600 g/mol |
| SMILES |
C1(N(CCC1)C(=O)OCC(C)C)C(OCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820279 |
