| SpectraBase Spectrum ID |
4GCaYdJO2Uk |
| Name |
2-Aminocaprylic acid, N-propoxycarbonyl-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.256608607 u |
| Formula |
C18H35NO4 |
| InChI |
InChI=1S/C18H35NO4/c1-4-7-9-11-13-16(19-18(21)23-14-6-3)17(20)22-15-12-10-8-5-2/h16H,4-15H2,1-3H3,(H,19,21) |
| InChIKey |
NJFXGNIWMGEAFA-UHFFFAOYSA-N |
| Molecular Weight |
329.481 g/mol |
| SMILES |
C(CC(NC(OCCC)=O)C(=O)OCCCCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.878283 |
