| SpectraBase Spectrum ID |
KfKAfTU5fOL |
| Name |
3-(3-pyridinyl)-5-(trifluoromethyl)-3H-isobenzofuran-1-one |
| Alternate Name(s) |
3-(3-pyridyl)-5-(trifluoromethyl)-3H-isobenzofuran-1-one
3-(3-pyridyl)-5-(trifluoromethyl)phthalide
3-pyridin-3-yl-5-(trifluoromethyl)-3H-2-benzofuran-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H8F3NO2 |
| InChI |
InChI=1S/C14H8F3NO2/c15-14(16,17)9-3-4-10-11(6-9)12(20-13(10)19)8-2-1-5-18-7-8/h1-7,12H |
| InChIKey |
FFCKFZIERIDYBC-UHFFFAOYSA-N |
| Molecular Weight |
279.218 g/mol |
| SMILES |
C1(=O)OC(c2cc(ccc12)C(F)(F)F)c1cnccc1 |
| SPLASH |
splash10-0a4i-0910000000-94a4cc10493550182c0d |
| Source of Spectrum |
E1-42-1853-14 |
| Wiley ID |
1552751 |
