| SpectraBase Spectrum ID |
Cxsjg5lh5PH |
| Name |
2-Methoxybenzoic acid, 2,2,3,3,4,4,4-heptafluorobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.043991288 u |
| Formula |
C12H9F7O3 |
| InChI |
InChI=1S/C12H9F7O3/c1-21-8-5-3-2-4-7(8)9(20)22-6-10(13,14)11(15,16)12(17,18)19/h2-5H,6H2,1H3 |
| InChIKey |
JZQOPXVFXPYWRX-UHFFFAOYSA-N |
| Molecular Weight |
334.190 g/mol |
| SMILES |
C1=CC=CC(=C1OC)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954274 |
