| SpectraBase Spectrum ID |
JPAA9Z0WkvU |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-(2-ethylhexyl)-, octyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.345029691 u |
| Formula |
C22H45NO2 |
| InChI |
InChI=1S/C22H45NO2/c1-6-10-12-13-14-15-18-25-22(24)23(20(5)16-8-3)19-21(9-4)17-11-7-2/h20-21H,6-19H2,1-5H3 |
| InChIKey |
PEIKSGJUHCAKMC-UHFFFAOYSA-N |
| Molecular Weight |
355.607 g/mol |
| SMILES |
CCCC(C)N(C(OCCCCCCCC)=O)CC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953558 |
