| SpectraBase Spectrum ID |
9lO2hjlb5qv |
| Name |
4-Acetamido-3-fluorobenzoic acid, N-methyl-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.080121410 u |
| Formula |
C11H12FNO3 |
| InChI |
InChI=1S/C11H12FNO3/c1-7(14)13(2)10-5-4-8(6-9(10)12)11(15)16-3/h4-6H,1-3H3 |
| InChIKey |
YXDFOGLZQWXTFM-UHFFFAOYSA-N |
| Molecular Weight |
225.219 g/mol |
| SMILES |
C1(F)=C(C=CC(=C1)C(=O)OC)N(C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945911 |
