| SpectraBase Spectrum ID |
6NQgydDE4qz |
| Name |
L-Proline, N-(3-methylbenzoyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.292994117 u |
| Formula |
C25H39NO3 |
| InChI |
InChI=1S/C25H39NO3/c1-3-4-5-6-7-8-9-10-11-12-19-29-25(28)23-17-14-18-26(23)24(27)22-16-13-15-21(2)20-22/h13,15-16,20,23H,3-12,14,17-19H2,1-2H3 |
| InChIKey |
ZMOSTXRSZMEZAV-UHFFFAOYSA-N |
| Molecular Weight |
401.591 g/mol |
| SMILES |
C1(=CC=CC(=C1)C(N1CCCC1C(=O)OCCCCCCCCCCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811993 |
