SpectraBase Compound ID | Ih449U1W06F |
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InChI | InChI=1S/C16H11ClO3/c1-19-16-7-11-13(18)9-14(10-5-3-2-4-6-10)20-15(11)8-12(16)17/h2-9H,1H3 |
InChIKey | DVEHDRLYHRJDMA-UHFFFAOYSA-N |
Mol Weight | 286.71 g/mol |
Molecular Formula | C16H11ClO3 |
Exact Mass | 286.039672 g/mol |
SpectraBase Spectrum ID | 8cMVy5EiH36 |
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Name | 7-Chloro-6-methoxyflavone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 286.039671911 u |
Formula | C16H11ClO3 |
InChI | InChI=1S/C16H11ClO3/c1-19-16-7-11-13(18)9-14(10-5-3-2-4-6-10)20-15(11)8-12(16)17/h2-9H,1H3 |
InChIKey | DVEHDRLYHRJDMA-UHFFFAOYSA-N |
SMILES | C=12C=C(C(=CC1OC(=CC2=O)C=1C=CC=CC1)Cl)OC |
Spectrum/Structure Validation Score (Raman) | 0.982472 |