| SpectraBase Spectrum ID |
CaynLz9MoHb |
| Name |
2',3'-[2-Methyl-2-(4-methyl-3-pentenyl)-dihydropyrane]-4,4'-dihydroxychalcone;xanthoangelol-I |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.198759378 u |
| Formula |
C25H28O4 |
| InChI |
InChI=1S/C25H28O4/c1-17(2)5-4-15-25(3)16-14-21-23(28)13-11-20(24(21)29-25)22(27)12-8-18-6-9-19(26)10-7-18/h5-13,26,28H,4,14-16H2,1-3H3/b12-8+ |
| InChIKey |
AJTWDECGQXIMQX-XYOKQWHBSA-N |
| Molecular Weight |
392.495 g/mol |
| SMILES |
C=1(O)C=CC(=CC1)\C=C\C(=O)C1=C2C(=C(O)C=C1)CCC(C)(CCC=C(C)C)O2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.812655 |
![2',3'-[2-Methyl-2-(4-methyl-3-pentenyl)-dihydropyrane]-4,4'-dihydroxychalcone;xanthoangelol-I](/api/spectrum/CaynLz9MoHb/structure.png?h=300&w=458 "2',3'-[2-Methyl-2-(4-methyl-3-pentenyl)-dihydropyrane]-4,4'-dihydroxychalcone;xanthoangelol-I")
