| SpectraBase Spectrum ID |
7EXMlQ2Ujpa |
| Name |
2,7-Diamino-9H-xanthen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.074227568 u |
| Formula |
C13H10N2O2 |
| InChI |
InChI=1S/C13H10N2O2/c14-7-1-3-11-9(5-7)13(16)10-6-8(15)2-4-12(10)17-11/h1-6H,14-15H2 |
| InChIKey |
ATLPNNQYMFUNKY-UHFFFAOYSA-N |
| Molecular Weight |
226.235 g/mol |
| SMILES |
C1(N)=CC2=C(C=C1)OC1=C(C2=O)C=C(C=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.877924 |
