| SpectraBase Spectrum ID |
44dk0kMQ376 |
| Name |
2,6-Difluoro-3-methylbenzoic acid, 4-nitrophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
293.049964096 u |
| Formula |
C14H9F2NO4 |
| InChI |
InChI=1S/C14H9F2NO4/c1-8-2-7-11(15)12(13(8)16)14(18)21-10-5-3-9(4-6-10)17(19)20/h2-7H,1H3 |
| InChIKey |
LLQAGHNZYQXOCB-UHFFFAOYSA-N |
| Molecular Weight |
293.226 g/mol |
| SMILES |
C1(=CC=C(C=C1)OC(C1=C(C(=CC=C1F)C)F)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812712 |
