| SpectraBase Compound ID | ER1sYzrW7PY |
|---|---|
| InChI | InChI=1S/C19H17BrO2/c1-19(2,3)13-6-4-12(5-7-13)15-11-18(21)22-17-9-8-14(20)10-16(15)17/h4-11H,1-3H3 |
| InChIKey | YKPHVYKRUYOZCH-UHFFFAOYSA-N |
| Mol Weight | 357.25 g/mol |
| Molecular Formula | C19H17BrO2 |
| Exact Mass | 356.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ul90iuyIIs |
|---|---|
| Name | 6-Bromo-4-(4-(tert-butyl) phenyl)-2H-chromen-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.041192785 u |
| Formula | C19H17BrO2 |
| InChI | InChI=1S/C19H17BrO2/c1-19(2,3)13-6-4-12(5-7-13)15-11-18(21)22-17-9-8-14(20)10-16(15)17/h4-11H,1-3H3 |
| InChIKey | YKPHVYKRUYOZCH-UHFFFAOYSA-N |
| Molecular Weight | 357.247 g/mol |
| SMILES | C1(C=C(C=2C=C(C=CC2O1)Br)C=1C=CC(=CC1)C(C)(C)C)=O |