| SpectraBase Spectrum ID |
LI1FE62xOtr |
| Name |
2-[oxo(3-pyridinyl)methyl]-4-propan-2-ylbenzoic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H15NO3 |
| InChI |
InChI=1S/C16H15NO3/c1-10(2)11-5-6-13(16(19)20)14(8-11)15(18)12-4-3-7-17-9-12/h3-10H,1-2H3,(H,19,20) |
| InChIKey |
YXVCJPHVUBHGMW-UHFFFAOYSA-N |
| Molecular Weight |
269.300 g/mol |
| SMILES |
OC(c1c(cc(cc1)C(C)C)C(c1cccnc1)=O)=O |
| SPLASH |
splash10-0006-0910000000-8e664d3a9de72c633667 |
| Source of Spectrum |
E1-42-1853-15 |
| Synonyms |
4-isopropyl-2-(pyridine-3-carbonyl)benzoic acid
4-propan-2-yl-2-(pyridine-3-carbonyl)benzoic acid
4-propan-2-yl-2-pyridin-3-ylcarbonyl-benzoic acid |
| Wiley ID |
1552749 |
![2-[oxo(3-pyridinyl)methyl]-4-propan-2-ylbenzoic acid](/api/spectrum/LI1FE62xOtr/structure.png?h=300&w=458 "2-[oxo(3-pyridinyl)methyl]-4-propan-2-ylbenzoic acid")
