| SpectraBase Spectrum ID |
7jjTl0LgYrV |
| Name |
Pyridine-5-carboxylic acid, 1,2,3,4-tetrahydro-6-methyl-4-(2-nitrophenyl)-2-oxo-, 3-phenylpropyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.152871811 u |
| Formula |
C22H22N2O5 |
| InChI |
InChI=1S/C22H22N2O5/c1-15-21(22(26)29-13-7-10-16-8-3-2-4-9-16)18(14-20(25)23-15)17-11-5-6-12-19(17)24(27)28/h2-6,8-9,11-12,18H,7,10,13-14H2,1H3,(H,23,25) |
| InChIKey |
KULDOWIOIOZYNR-UHFFFAOYSA-N |
| Molecular Weight |
394.427 g/mol |
| SMILES |
C1(=C(NC(CC1C1=C(N(=O)=O)C=CC=C1)=O)C)C(=O)OCCCC1=CC=CC=C1 |
