| SpectraBase Spectrum ID |
AX5nMFNWg2B |
| Name |
2-Hydroxy-5-methoxybenzoic acid, 2,2,3,4,4,4-hexafluoro-1-butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
332.048327776 u |
| Formula |
C12H10F6O4 |
| InChI |
InChI=1S/C12H10F6O4/c1-21-6-2-3-8(19)7(4-6)9(20)22-5-11(14,15)10(13)12(16,17)18/h2-4,10,19H,5H2,1H3 |
| InChIKey |
OKIMMJSENJFJFJ-UHFFFAOYSA-N |
| Molecular Weight |
332.198 g/mol |
| SMILES |
C1(=CC=C(C(=C1)C(=O)OCC(C(F)C(F)(F)F)(F)F)O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90705 |
