| SpectraBase Spectrum ID |
B3xgMQDbeoN |
| Name |
4-(Acetamidomethyl)benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.089543280 u |
| Formula |
C11H13NO3 |
| InChI |
InChI=1S/C11H13NO3/c1-8(13)12-7-9-3-5-10(6-4-9)11(14)15-2/h3-6H,7H2,1-2H3,(H,12,13) |
| InChIKey |
AQBLWRHHNAOLQO-UHFFFAOYSA-N |
| Molecular Weight |
207.229 g/mol |
| SMILES |
C(C=1C=CC(CNC(=O)C)=CC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952144 |
