| SpectraBase Spectrum ID |
KXYjpGqM2lc |
| Name |
2-Aminocaprylic acid, N-ethoxycarbonyl-, decyl 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/c1-4-7-9-11-12-13-14-16-18-26-20(23)19(17-15-10-8-5-2)22-21(24)25-6-3/h19H,4-18H2,1-3H3,(H,22,24) |
| InChIKey |
PDGFCMOCYAWBSU-UHFFFAOYSA-N |
| Molecular Weight |
371.562 g/mol |
| SMILES |
C(CC(NC(OCC)=O)C(=O)OCCCCCCCCCC)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.907639 |
