SpectraBase Compound ID | 1iQeXJM97sA |
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InChI | InChI=1S/C19H20O2/c1-14(2)16-7-4-15(5-8-16)6-13-19(20)17-9-11-18(21-3)12-10-17/h4-14H,1-3H3 |
InChIKey | RIBGEHPYSFDRPI-UHFFFAOYSA-N |
Mol Weight | 280.37 g/mol |
Molecular Formula | C19H20O2 |
Exact Mass | 280.14633 g/mol |
SpectraBase Spectrum ID | GuxGqFpQ32W |
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Name | 4-Isopropyl-4'-methoxychalcone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 280.146329882 u |
Formula | C19H20O2 |
InChI | InChI=1S/C19H20O2/c1-14(2)16-7-4-15(5-8-16)6-13-19(20)17-9-11-18(21-3)12-10-17/h4-14H,1-3H3 |
InChIKey | RIBGEHPYSFDRPI-UHFFFAOYSA-N |
SMILES | C=1C(=CC=C(C1)OC)C(C=CC=1C=CC(=CC1)C(C)C)=O |
Spectrum/Structure Validation Score (Raman) | 0.997646 |