| SpectraBase Spectrum ID |
AP7wZU8T2Gp |
| Name |
2H,6H-Benzo[1,2-B:5,4-B']dipyran-6-one, 5-hydroxy-7-methoxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methyl-2-B utenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.188588616 u |
| Formula |
C27H28O6 |
| InChI |
InChI=1S/C27H28O6/c1-15(2)7-12-19-24-18(13-14-27(3,4)33-24)21(28)20-22(29)26(31-6)23(32-25(19)20)16-8-10-17(30-5)11-9-16/h7-11,13-14,28H,12H2,1-6H3 |
| InChIKey |
WKQSLFOXTZDNHA-UHFFFAOYSA-N |
| Molecular Weight |
448.515 g/mol |
| SMILES |
C=12C(OC(=C(C2=O)OC)C=2C=CC(=CC2)OC)=C(CC=C(C)C)C2=C(C1O)C=CC(C)(C)O2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959509 |
![2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-methoxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methyl-2-b utenyl)-](/api/spectrum/AP7wZU8T2Gp/structure.png?h=300&w=458 "2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-methoxy-8-(4-methoxyphenyl)-2,2-dimethyl-10-(3-methyl-2-b utenyl)-")
