| SpectraBase Spectrum ID |
C1pXvjrTLSs |
| Name |
Benzeneacetic acid, 2-fluoro-3,4-dimethoxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
214.064136993 u |
| Formula |
C10H11FO4 |
| InChI |
InChI=1S/C10H11FO4/c1-14-7-4-3-6(5-8(12)13)9(11)10(7)15-2/h3-4H,5H2,1-2H3,(H,12,13) |
| InChIKey |
RAXDCPIEIZUGRH-UHFFFAOYSA-N |
| Molecular Weight |
214.192 g/mol |
| SMILES |
C1=C(C(=C(C(=C1)OC)OC)F)CC(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911309 |
