| SpectraBase Spectrum ID |
6ENvO36ATqC |
| Name |
L-Proline, N-(3-methylbenzoyl)-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.355594374 u |
| Formula |
C29H47NO3 |
| InChI |
InChI=1S/C29H47NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-33-29(32)27-21-18-22-30(27)28(31)26-20-17-19-25(2)24-26/h17,19-20,24,27H,3-16,18,21-23H2,1-2H3 |
| InChIKey |
KHNLZNBIQOBQTD-UHFFFAOYSA-N |
| Molecular Weight |
457.699 g/mol |
| SMILES |
C1=C(C=CC=C1C)C(N1CCCC1C(=O)OCCCCCCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.855017 |
