SpectraBase Compound ID | SWWRt4YeGl |
---|---|
InChI | InChI=1S/C21H16O2/c22-21(23-19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H |
InChIKey | STGOLAFJMXBRLY-UHFFFAOYSA-N |
Mol Weight | 300.36 g/mol |
Molecular Formula | C21H16O2 |
Exact Mass | 300.11503 g/mol |
SpectraBase Spectrum ID | LoywotG961y |
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Name | 3,3-Diphenylacrylic acid, phenyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 300.115029753 u |
Formula | C21H16O2 |
InChI | InChI=1S/C21H16O2/c22-21(23-19-14-8-3-9-15-19)16-20(17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16H |
InChIKey | STGOLAFJMXBRLY-UHFFFAOYSA-N |
SMILES | C=1C(=CC=CC1)C(=CC(OC=1C=CC=CC1)=O)C=1C=CC=CC1 |
Spectrum/Structure Validation Score (Raman) | 0.892821 |