| SpectraBase Spectrum ID |
3AV1EgPf9uZ |
| Name |
3-( 5'-Acetoxy-4'-cyano-6'-methyl-3'-pyridyl)propionic acid |
| Alternate Name(s) |
3-[5-(acetyloxy)-4-cyano-6-methyl-3-pyridinyl]propanoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H12N2O4 |
| InChI |
InChI=1S/C12H12N2O4/c1-7-12(18-8(2)15)10(5-13)9(6-14-7)3-4-11(16)17/h6H,3-4H2,1-2H3,(H,16,17) |
| InChIKey |
ZZHFGCFWUSTVCI-UHFFFAOYSA-N |
| Molecular Weight |
248.238 g/mol |
| SMILES |
OC(CCc1c(c(OC(=O)C)c(C)nc1)C#N)=O |
| SPLASH |
splash10-08fr-0930000000-453dfb780b2c919e3573 |
| Source of Spectrum |
SB-46-67-16 |
| Wiley ID |
1250770 |
