| SpectraBase Spectrum ID |
1YSwMldX9f9 |
| Name |
L-Proline, N-isobutoxycarbonyl-, octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
467.397459187 u |
| Formula |
C28H53NO4 |
| InChI |
InChI=1S/C28H53NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-27(30)26-21-20-22-29(26)28(31)33-24-25(2)3/h25-26H,4-24H2,1-3H3 |
| InChIKey |
OGJMVABFGDCCPE-UHFFFAOYSA-N |
| Molecular Weight |
467.735 g/mol |
| SMILES |
C1(N(CCC1)C(=O)OCC(C)C)C(OCCCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903973 |
