| SpectraBase Spectrum ID |
BOc5Oqq51jt |
| Name |
L-Proline, N-isobutoxycarbonyl-, tetradecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.334858929 u |
| Formula |
C24H45NO4 |
| InChI |
InChI=1S/C24H45NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-28-23(26)22-17-16-18-25(22)24(27)29-20-21(2)3/h21-22H,4-20H2,1-3H3 |
| InChIKey |
ZOWQWHJNPRPPFY-UHFFFAOYSA-N |
| Molecular Weight |
411.627 g/mol |
| SMILES |
C1(N(CCC1)C(=O)OCC(C)C)C(OCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.816878 |
