| SpectraBase Spectrum ID |
B7qljdqh8ez |
| Name |
2-Hydroxybenzoic 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 |
416.010640299 u |
| Formula |
C13H6F10O4 |
| InChI |
InChI=1S/C13H6F10O4/c14-10(15,12(19,20)13(21,22)23)5-26-8(24)6-3-1-2-4-7(6)27-9(25)11(16,17)18/h1-4H,5H2 |
| InChIKey |
NNRILQQHCLVTQS-UHFFFAOYSA-N |
| Molecular Weight |
416.171 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C(F)(F)F)C(=O)OCC(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974374 |
