| SpectraBase Spectrum ID |
JpMAx5htik8 |
| Name |
2,5-Difluorobenzoic acid, 2-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
228.096186015 u |
| Formula |
C12H14F2O2 |
| InChI |
InChI=1S/C12H14F2O2/c1-3-4-8(2)16-12(15)10-7-9(13)5-6-11(10)14/h5-8H,3-4H2,1-2H3 |
| InChIKey |
UBXFMWVPPLDVAC-UHFFFAOYSA-N |
| Molecular Weight |
228.239 g/mol |
| SMILES |
CCCC(OC(C1=C(C=CC(=C1)F)F)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898278 |
