| SpectraBase Spectrum ID |
HfIbjGANQCE |
| Name |
5,6-Dihydroxy-2-methyl-2-[(3',7'E)-4',8',12'-trimethyl-trideca-3',7',11'-trien]-2(H)-chromene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
396.266445016 u |
| Formula |
C26H36O3 |
| InChI |
InChI=1S/C26H36O3/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-17-26(5)18-16-22-24(29-26)15-14-23(27)25(22)28/h9,11,13-16,18,27-28H,6-8,10,12,17H2,1-5H3/b20-11+,21-13+ |
| InChIKey |
HDKOYWYEMWGKBR-VZLKJUJQSA-N |
| Molecular Weight |
396.571 g/mol |
| SMILES |
C1=2OC(C=CC2C(=C(C=C1)O)O)(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873084 |
![5,6-Dihydroxy-2-methyl-2-[(3',7'E)-4',8',12'-trimethyl-trideca-3',7',11'-trien]-2(H)-chromene](/api/spectrum/HfIbjGANQCE/structure.png?h=300&w=458 "5,6-Dihydroxy-2-methyl-2-[(3',7'E)-4',8',12'-trimethyl-trideca-3',7',11'-trien]-2(H)-chromene")
