| SpectraBase Spectrum ID |
Kcl1qMzuC55 |
| Name |
2-(3-cyano-4-(furan-2-yl)5,6-dimethylpyridine-2-yl-carbomyl)benzoic acid |
| Appearance |
Black crystals |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H15N3O4 |
| InChI |
InChI=1S/C20H15N3O4/c1-11-12(2)22-18(15(10-21)17(11)16-8-5-9-27-16)23-19(24)13-6-3-4-7-14(13)20(25)26/h3-9H,1-2H3,(H,25,26)(H,22,23,24) |
| InChIKey |
ANYNRWFNHODPGE-UHFFFAOYSA-N |
| Instrument Name |
Kratos MS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/jhet.3231 |
| Molecular Weight |
361.357 g/mol |
| SMILES |
N(c1c(c(c(c(n1)C)C)-c1ccco1)C#N)C(c1c(C(=O)O)cccc1)=O |
| SPLASH |
splash10-03di-1390000000-6d11cac04ca749fbc4cf |
| Source of Spectrum |
Y-55-1940-28 |
| Wiley ID |
1879239 |
