| SpectraBase Spectrum ID |
FrHUgQn5sJN |
| Name |
2H,6H-Benzo[1,2-B:5,4-B']dipyran-6-one, 5-hydroxy-7-(p-methoxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
418.178023932 u |
| Formula |
C26H26O5 |
| InChI |
InChI=1S/C26H26O5/c1-15(2)6-11-19-24-18(12-13-26(3,4)31-24)22(27)21-23(28)20(14-30-25(19)21)16-7-9-17(29-5)10-8-16/h6-10,12-14,27H,11H2,1-5H3 |
| InChIKey |
GNPQWDWOWJVYMD-UHFFFAOYSA-N |
| Molecular Weight |
418.489 g/mol |
| SMILES |
C1(O)=C2C(=C(C3=C1C=CC(O3)(C)C)CC=C(C)C)OC=C(C2=O)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953658 |
![2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-(p-methoxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-](/api/spectrum/FrHUgQn5sJN/structure.png?h=300&w=458 "2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-(p-methoxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-")
