| SpectraBase Spectrum ID |
GKXISsGMR1R |
| Name |
Carbonic acid, monoamide, N-propyl-N-heptyl-, 2-(benzyloxy)ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.246043924 u |
| Formula |
C20H33NO3 |
| InChI |
InChI=1S/C20H33NO3/c1-3-5-6-7-11-15-21(14-4-2)20(22)24-17-16-23-18-19-12-9-8-10-13-19/h8-10,12-13H,3-7,11,14-18H2,1-2H3 |
| InChIKey |
QQJJSCFLYFGUSV-UHFFFAOYSA-N |
| Molecular Weight |
335.488 g/mol |
| SMILES |
C(=O)(OCCOCC1=CC=CC=C1)N(CCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950242 |
