| SpectraBase Spectrum ID |
BsjFZcME44x |
| Name |
L-Proline, N-pivaloyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.386894503 u |
| Formula |
C27H51NO3 |
| InChI |
InChI=1S/C27H51NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-31-25(29)24-21-20-22-28(24)26(30)27(2,3)4/h24H,5-23H2,1-4H3 |
| InChIKey |
ICQZHVWABPMCPO-UHFFFAOYSA-N |
| Molecular Weight |
437.709 g/mol |
| SMILES |
CC(C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCCC)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907138 |
