| SpectraBase Spectrum ID |
CbyKq6fka3k |
| Name |
Benzoic acid, 2-propylamino-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
221.141578854 u |
| Formula |
C13H19NO2 |
| InChI |
InChI=1S/C13H19NO2/c1-3-9-14-12-8-6-5-7-11(12)13(15)16-10-4-2/h5-8,14H,3-4,9-10H2,1-2H3 |
| InChIKey |
HHDBJRYMQAMLCD-UHFFFAOYSA-N |
| Molecular Weight |
221.300 g/mol |
| SMILES |
C1(=CC=CC=C1C(OCCC)=O)NCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94682 |
