| SpectraBase Spectrum ID |
GfCLlX0wUNz |
| Name |
2H-Pyran-3(6H)-one, 4-methyl-6-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadi enyl]-, (E,E)-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.208930140 u |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-14(11-17-12-16(3)19(21)13-22-17)8-9-18-15(2)7-6-10-20(18,4)5/h8-9,11-12,17H,6-7,10,13H2,1-5H3/b9-8+,14-11+ |
| InChIKey |
FHVWXWDUVQNYKU-HUKVCQRGSA-N |
| SMILES |
C1(\C=C\C(=C\C2C=C(C)C(CO2)=O)C)=C(CCCC1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841128 |
![2H-Pyran-3(6H)-one, 4-methyl-6-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadi enyl]-, (E,E)-(.+-.)-](/api/spectrum/GfCLlX0wUNz/structure.png?h=300&w=458 "2H-Pyran-3(6H)-one, 4-methyl-6-[2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadi enyl]-, (E,E)-(.+-.)-")
