| SpectraBase Spectrum ID |
7DJrFQqTqIY |
| Name |
2-Hydroxy-4-methoxy-4'-methylbenzophenone, heptafluorobutyrate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
438.070206036 u |
| Formula |
C19H13F7O4 |
| InChI |
InChI=1S/C19H13F7O4/c1-10-3-5-11(6-4-10)15(27)13-8-7-12(29-2)9-14(13)30-16(28)17(20,21)18(22,23)19(24,25)26/h3-9H,1-2H3 |
| InChIKey |
YQMSLVBODVGDTF-UHFFFAOYSA-N |
| Molecular Weight |
438.298 g/mol |
| SMILES |
COC1=CC(=C(C=C1)C(=O)C1=CC=C(C=C1)C)OC(=O)C(C(C(F)(F)F)(F)F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921543 |
