| SpectraBase Spectrum ID |
8WAS3mpooCw |
| Name |
2-Aminocaprylic acid, N-allyloxycarbonyl-, heptyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.256608607 u |
| Formula |
C19H35NO4 |
| InChI |
InChI=1S/C19H35NO4/c1-4-7-9-11-13-16-23-18(21)17(14-12-10-8-5-2)20-19(22)24-15-6-3/h6,17H,3-5,7-16H2,1-2H3,(H,20,22) |
| InChIKey |
OABYHWOUQNTPFT-UHFFFAOYSA-N |
| Molecular Weight |
341.492 g/mol |
| SMILES |
C(C(NC(OCC=C)=O)C(=O)OCCCCCCC)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869555 |
