| SpectraBase Spectrum ID |
EAg7YNvOCHi |
| Name |
1-Aminocyclopentanecarboxylic acid, N-(2-chloroethoxycarbonyl)-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.295886597 u |
| Formula |
C24H44ClNO4 |
| InChI |
InChI=1S/C24H44ClNO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-29-22(27)24(17-14-15-18-24)26-23(28)30-21-19-25/h2-21H2,1H3,(H,26,28) |
| InChIKey |
HLUBHNGBNXTBLL-UHFFFAOYSA-N |
| Molecular Weight |
446.072 g/mol |
| SMILES |
CCCCCCCCCCCCCCCOC(C1(NC(OCCCl)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844093 |
