SpectraBase Compound ID | IlOqrGdkSEX |
---|---|
InChI | InChI=1S/C16H11ClO4/c1-20-13-7-10-12(8-11(13)17)21-16(15(19)14(10)18)9-5-3-2-4-6-9/h2-8,19H,1H3 |
InChIKey | MFMDIOHLAIWVIR-UHFFFAOYSA-N |
Mol Weight | 302.71 g/mol |
Molecular Formula | C16H11ClO4 |
Exact Mass | 302.034587 g/mol |
SpectraBase Spectrum ID | G0k7dwCZJ1G |
---|---|
Name | 7-Chloro-3-hydroxy-6-methoxyflavone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 302.034586530 u |
Formula | C16H11ClO4 |
InChI | InChI=1S/C16H11ClO4/c1-20-13-7-10-12(8-11(13)17)21-16(15(19)14(10)18)9-5-3-2-4-6-9/h2-8,19H,1H3 |
InChIKey | MFMDIOHLAIWVIR-UHFFFAOYSA-N |
SMILES | OC1=C(OC=2C=C(C(=CC2C1=O)OC)Cl)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) | 0.952685 |