| SpectraBase Spectrum ID |
7aFe7ULa0Ic |
| Name |
6-Aminocaproic acid, N-neopentyloxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-23-31-25(29)21-18-17-19-22-28-26(30)32-24-27(2,3)4/h5-24H2,1-4H3,(H,28,30) |
| InChIKey |
IHOMKPWHGRMKJF-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
CC(COC(NCCCCCC(OCCCCCCCCCCCCCCC)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.804329 |
