| SpectraBase Spectrum ID |
KPAxGDTrSCn |
| Name |
Carbonic acid, monoamide, N-(2-phenylethyl)-N-hexyl-, hexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.266779369 u |
| Formula |
C21H35NO2 |
| InChI |
InChI=1S/C21H35NO2/c1-3-5-7-12-17-22(18-16-20-14-10-9-11-15-20)21(23)24-19-13-8-6-4-2/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3 |
| InChIKey |
CKYHJCPULSXYQA-UHFFFAOYSA-N |
| Molecular Weight |
333.516 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)OCCCCCC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967141 |
