| SpectraBase Spectrum ID |
JTDCAaoHjlQ |
| Name |
5-isopropyl-3-(3-pyridyl)-3H-isobenzofuran-1-one |
| Alternate Name(s) |
5-propan-2-yl-3-(3-pyridinyl)-3H-isobenzofuran-1-one
5-propan-2-yl-3-pyridin-3-yl-3H-2-benzofuran-1-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15NO2 |
| InChI |
InChI=1S/C16H15NO2/c1-10(2)11-5-6-13-14(8-11)15(19-16(13)18)12-4-3-7-17-9-12/h3-10,15H,1-2H3 |
| InChIKey |
RFZJFUYAXWLXLJ-UHFFFAOYSA-N |
| Molecular Weight |
253.301 g/mol |
| SMILES |
C1(=O)OC(c2cc(ccc12)C(C)C)c1cnccc1 |
| SPLASH |
splash10-004i-0090000000-b381cf10ed9e72321479 |
| Source of Spectrum |
E1-42-1853-14 |
| Wiley ID |
1552750 |
