SpectraBase Spectrum ID |
IZTVaIySwek |
Name |
9-Amino-5,8-dihydro-5-ethyl-8-oxo-1,3-dioxolo[4,5-G]quinoline-7-carboxylic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
276.074621489 u |
Formula |
C13H12N2O5 |
InChI |
InChI=1S/C13H12N2O5/c1-2-15-4-6(13(17)18)11(16)9-7(15)3-8-12(10(9)14)20-5-19-8/h3-4H,2,5,14H2,1H3,(H,17,18) |
InChIKey |
DZKGUVVWZUCSJU-UHFFFAOYSA-N |
Molecular Weight |
276.248 g/mol |
SMILES |
NC=1C=2C(C(C(=O)O)=CN(C2C=C2OCOC12)CC)=O |
Spectrum/Structure Validation Score (Raman) |
0.960957 |