![2H-1-Benzopyran-2-one, 7-[[4-(1-methylethyl)phenyl]methoxy]-](/api/spectrum/8e5SJb4sxam/structure.png?h=300&w=458 "2H-1-Benzopyran-2-one, 7-[[4-(1-methylethyl)phenyl]methoxy]-")
| SpectraBase Compound ID | 5uIPoOLGaxP |
|---|---|
| InChI | InChI=1S/C19H18O3/c1-13(2)15-5-3-14(4-6-15)12-21-17-9-7-16-8-10-19(20)22-18(16)11-17/h3-11,13H,12H2,1-2H3 |
| InChIKey | CTLONBRDJJWHMG-UHFFFAOYSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C19H18O3 |
| Exact Mass | 294.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8e5SJb4sxam |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 7-[[4-(1-methylethyl)phenyl]methoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.125594437 u |
| Formula | C19H18O3 |
| InChI | InChI=1S/C19H18O3/c1-13(2)15-5-3-14(4-6-15)12-21-17-9-7-16-8-10-19(20)22-18(16)11-17/h3-11,13H,12H2,1-2H3 |
| InChIKey | CTLONBRDJJWHMG-UHFFFAOYSA-N |
| SMILES | C1=CC(OC=2C=C(C=CC12)OCC1=CC=C(C=C1)C(C)C)=O |