| SpectraBase Spectrum ID |
6T5yLbAQWhg |
| Name |
Benzoic acid, 3-(ethylamino)-5-hydroxy-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
195.089543280 u |
| Formula |
C10H13NO3 |
| InChI |
InChI=1S/C10H13NO3/c1-3-11-8-4-7(10(13)14-2)5-9(12)6-8/h4-6,11-12H,3H2,1-2H3 |
| InChIKey |
HVPWFAWUNLLRBG-UHFFFAOYSA-N |
| Molecular Weight |
195.218 g/mol |
| SMILES |
C=1(C(=O)OC)C=C(NCC)C=C(C1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852833 |
