| SpectraBase Compound ID | 6x542BuyQnB |
|---|---|
| InChI | InChI=1S/C15H11NO2.ClH/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10;/h1-9H,16H2;1H |
| InChIKey | HXTXYOKYWYABTQ-UHFFFAOYSA-N |
| Mol Weight | 273.72 g/mol |
| Molecular Formula | C15H12ClNO2 |
| Exact Mass | 273.055656 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 9VyJaBUDBJ2 |
|---|---|
| Name | 3-Aminoflavone, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 273.055656328 u |
| Formula | C15H12ClNO2 |
| InChI | InChI=1S/C15H11NO2.ClH/c16-13-14(17)11-8-4-5-9-12(11)18-15(13)10-6-2-1-3-7-10;/h1-9H,16H2;1H |
| InChIKey | HXTXYOKYWYABTQ-UHFFFAOYSA-N |
| SMILES | Cl.NC1=C(OC=2C=CC=CC2C1=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Raman) | 0.847897 |