| SpectraBase Spectrum ID |
BDFVgOfqzPc |
| Name |
2-Aminocaprylic acid, N-(2-methoxyethylcarbonyl)-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.251523226 u |
| Formula |
C18H35NO5 |
| InChI |
InChI=1S/C18H35NO5/c1-4-6-8-10-12-16(19-18(21)24-15-14-22-3)17(20)23-13-11-9-7-5-2/h16H,4-15H2,1-3H3,(H,19,21) |
| InChIKey |
KEMGEXGSFFQTCF-UHFFFAOYSA-N |
| Molecular Weight |
345.480 g/mol |
| SMILES |
COCCOC(NC(C(OCCCCCC)=O)CCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854189 |
