| SpectraBase Spectrum ID |
7Y1cahnw17I |
| Name |
Benzoic acid, 3-amino-, 2-methylpropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
193.110278725 u |
| Formula |
C11H15NO2 |
| InChI |
InChI=1S/C11H15NO2/c1-8(2)7-14-11(13)9-4-3-5-10(12)6-9/h3-6,8H,7,12H2,1-2H3 |
| InChIKey |
IURBCXATWNDAKW-UHFFFAOYSA-N |
| Molecular Weight |
193.246 g/mol |
| SMILES |
C1=C(C=CC=C1C(OCC(C)C)=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849035 |
