![2'-Phenylspiro[2H-1-benzopyran-3(4H),5'-[1,3]dioxan]-4-one](/api/spectrum/1UcgGRlYeq7/structure.png?h=300&w=458 "2'-Phenylspiro[2H-1-benzopyran-3(4H),5'-[1,3]dioxan]-4-one")
| SpectraBase Compound ID | CKAWbIdYldO |
|---|---|
| InChI | InChI=1S/C18H16O4/c19-16-14-8-4-5-9-15(14)20-10-18(16)11-21-17(22-12-18)13-6-2-1-3-7-13/h1-9,17H,10-12H2 |
| InChIKey | KEMQCBLZIXZANK-UHFFFAOYSA-N |
| Mol Weight | 296.32 g/mol |
| Molecular Formula | C18H16O4 |
| Exact Mass | 296.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UcgGRlYeq7 |
|---|---|
| Name | 2'-Phenylspiro[2H-1-benzopyran-3(4H),5'-[1,3]dioxan]-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.104858991 u |
| Formula | C18H16O4 |
| InChI | InChI=1S/C18H16O4/c19-16-14-8-4-5-9-15(14)20-10-18(16)11-21-17(22-12-18)13-6-2-1-3-7-13/h1-9,17H,10-12H2 |
| InChIKey | KEMQCBLZIXZANK-UHFFFAOYSA-N |
| SMILES | C=12OCC3(C(C1C=CC=C2)=O)COC(OC3)C1=CC=CC=C1 |