| SpectraBase Spectrum ID |
LaPhyHfChIn |
| Name |
Carbonic acid, monoamide, N-propyl-N-butyl-, benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.172878983 u |
| Formula |
C15H23NO2 |
| InChI |
InChI=1S/C15H23NO2/c1-3-5-12-16(11-4-2)15(17)18-13-14-9-7-6-8-10-14/h6-10H,3-5,11-13H2,1-2H3 |
| InChIKey |
PDFMCGRMSLDKND-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
C(N(CCC)CCCC)(=O)OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952485 |
