| SpectraBase Spectrum ID |
3jrGOqPMKk6 |
| Name |
D-Proline, N-neopentyloxycarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
453.381809122 u |
| Formula |
C27H51NO4 |
| InChI |
InChI=1S/C27H51NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-31-25(29)24-20-19-21-28(24)26(30)32-23-27(2,3)4/h24H,5-23H2,1-4H3 |
| InChIKey |
OSLZXJPKWWOIFW-UHFFFAOYSA-N |
| Molecular Weight |
453.708 g/mol |
| SMILES |
C1CN(C(OCC(C)(C)C)=O)C(C1)C(OCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87936 |
