| SpectraBase Spectrum ID |
IqHxkAHGqfn |
| Name |
3-Amino-1,4,6-triketo-2,5-dimethyl-pyrrolo[3,4-C]pyridine-7-carboxylic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.069870461 u |
| Formula |
C11H11N3O5 |
| InChI |
InChI=1S/C11H11N3O5/c1-13-7(12)5-4(8(13)15)6(11(18)19-3)10(17)14(2)9(5)16/h12H2,1-3H3 |
| InChIKey |
XXVXGROCCAXYGC-UHFFFAOYSA-N |
| Molecular Weight |
265.225 g/mol |
| SMILES |
C=12C(=C(C(=O)OC)C(N(C2=O)C)=O)C(=O)N(C1N)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924218 |
![3-Amino-1,4,6-triketo-2,5-dimethyl-pyrrolo[3,4-C]pyridine-7-carboxylic acid methyl ester](/api/spectrum/IqHxkAHGqfn/structure.png?h=300&w=458 "3-Amino-1,4,6-triketo-2,5-dimethyl-pyrrolo[3,4-C]pyridine-7-carboxylic acid methyl ester")
