| SpectraBase Spectrum ID |
LUrEFFIn5Jq |
| Name |
2-(4-Methoxybenzyl)-5-nitro-2H-pyrazole-3-carboxylic acid |
| Alternate Name(s) |
1-(4-methoxybenzyl)-3-nitro-1H-pyrazole-5-carboxylic acid
2-[(4-methoxyphenyl)methyl]-5-nitro-3-pyrazolecarboxylic acid
2-[(4-methoxyphenyl)methyl]-5-nitropyrazole-3-carboxylic acid
2-[(4-methoxyphenyl)methyl]-5-nitro-pyrazole-3-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H11N3O5 |
| InChI |
InChI=1S/C12H11N3O5/c1-20-9-4-2-8(3-5-9)7-14-10(12(16)17)6-11(13-14)15(18)19/h2-6H,7H2,1H3,(H,16,17) |
| InChIKey |
WCJKCPSVMQAHRO-UHFFFAOYSA-N |
| Molecular Weight |
277.236 g/mol |
| SMILES |
OC(c1[n](nc(c1)N(=O)=O)Cc1ccc(cc1)OC)=O |
| SPLASH |
splash10-00di-0930000000-78e9adf1f409e6d65fda |
| Source of Spectrum |
C5-2003-1822-7 |
| Wiley ID |
1615711 |
