| SpectraBase Spectrum ID |
9tQDGE6QRs0 |
| Name |
2,2,3,3-Tetrafluoro-1-(naphthalen-2-yl)-3-(phenylsulfonyl)-propan-1-ol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
398.059978134 u |
| Formula |
C19H14F4O3S |
| InChI |
InChI=1S/C19H14F4O3S/c20-18(21,19(22,23)27(25,26)16-8-2-1-3-9-16)17(24)15-11-10-13-6-4-5-7-14(13)12-15/h1-12,17,24H |
| InChIKey |
PEDVYZVFUYGRMT-UHFFFAOYSA-N |
| Molecular Weight |
398.372 g/mol |
| SMILES |
C=1C=2C(C=C(C1)C(O)C(F)(F)C(F)(F)S(=O)(=O)C1=CC=CC=C1)=CC=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849671 |
