| SpectraBase Spectrum ID |
693nkceRNi5 |
| Name |
2-Hydroxy-5-methylbenzophenone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.059641352 u |
| Formula |
C18H11F7O3 |
| InChI |
InChI=1S/C18H11F7O3/c1-10-7-8-13(12(9-10)14(26)11-5-3-2-4-6-11)28-15(27)16(19,20)17(21,22)18(23,24)25/h2-9H,1H3 |
| InChIKey |
DOLRRBWUTTVFAL-UHFFFAOYSA-N |
| Molecular Weight |
408.272 g/mol |
| SMILES |
C1(OC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C=C1)C)C(=O)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970771 |
