| SpectraBase Spectrum ID |
LlnV4AYOvy6 |
| Name |
2-Aminocaprylic acid, N-methoxycarbonyl-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.303558800 u |
| Formula |
C21H41NO4 |
| InChI |
InChI=1S/C21H41NO4/c1-4-6-8-10-11-12-13-14-16-18-26-20(23)19(22-21(24)25-3)17-15-9-7-5-2/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey |
STHLDSUZVAWJLZ-UHFFFAOYSA-N |
| Molecular Weight |
371.562 g/mol |
| SMILES |
C(CCCCC(NC(OC)=O)C(=O)OCCCCCCCCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928817 |
