| SpectraBase Spectrum ID |
C7cBynGizqf |
| Name |
6-Aminocaproic acid, N-methoxycarbonyl-, hexadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.350508993 u |
| Formula |
C24H47NO4 |
| InChI |
InChI=1S/C24H47NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-29-23(26)20-17-16-18-21-25-24(27)28-2/h3-22H2,1-2H3,(H,25,27) |
| InChIKey |
XVLDFWJFSKSJTQ-UHFFFAOYSA-N |
| Molecular Weight |
413.643 g/mol |
| SMILES |
COC(NCCCCCC(OCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89401 |
