| SpectraBase Spectrum ID |
JmklImqB9q1 |
| Name |
1,2-Benzenediol, o-(2-(trifluoromethyl)benzoyl)-o'-(isobutyryl)- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.092243448 u |
| Formula |
C18H15F3O4 |
| InChI |
InChI=1S/C18H15F3O4/c1-11(2)16(22)24-14-9-5-6-10-15(14)25-17(23)12-7-3-4-8-13(12)18(19,20)21/h3-11H,1-2H3 |
| InChIKey |
MTWBSXUPJNCPAX-UHFFFAOYSA-N |
| Molecular Weight |
352.309 g/mol |
| SMILES |
C1(=CC=CC=C1OC(=O)C1=C(C(F)(F)F)C=CC=C1)OC(C(C)C)=O |
