| SpectraBase Spectrum ID |
FJ0jBSX2BL0 |
| Name |
3-Ethoxycarbonyl-1-methyl-8-nitroisoquinoline-3-carboxylic acid |
| Alternate Name(s) |
6,7-Dimethoxyl-1-methyl-8-nitroisoquinoline-3-carboxylic acid
6,7-dimethoxy-1-methyl-8-nitro-3-isoquinolinecarboxylic acid
6,7-dimethoxy-1-methyl-8-nitroisoquinoline-3-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H12N2O6 |
| InChI |
InChI=1S/C13H12N2O6/c1-6-10-7(4-8(14-6)13(16)17)5-9(20-2)12(21-3)11(10)15(18)19/h4-5H,1-3H3,(H,16,17) |
| InChIKey |
DIFACITXVXWEJF-UHFFFAOYSA-N |
| Molecular Weight |
292.247 g/mol |
| SMILES |
OC(c1cc2c(c(N(=O)=O)c(c(c2)OC)OC)c(n1)C)=O |
| SPLASH |
splash10-014i-0920000000-7920d80a8501ff808c19 |
| Source of Spectrum |
SO-0-1202-14 |
| Wiley ID |
874093 |
