| SpectraBase Spectrum ID |
CJwNydQopYG |
| Name |
1-Aminocyclopentanecarboxylic acid, N-methoxycarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.272258671 u |
| Formula |
C20H37NO4 |
| InChI |
InChI=1S/C20H37NO4/c1-3-4-5-6-7-8-9-10-11-14-17-25-18(22)20(15-12-13-16-20)21-19(23)24-2/h3-17H2,1-2H3,(H,21,23) |
| InChIKey |
VHNDYPMZEVCMNW-UHFFFAOYSA-N |
| Molecular Weight |
355.519 g/mol |
| SMILES |
COC(NC1(C(OCCCCCCCCCCCC)=O)CCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894799 |
