| SpectraBase Spectrum ID |
EZ2jEkFfD0n |
| Name |
1,4-Dihydroxy-6,6,9A-trimethyl-4,5,5A,7,8,9-hexahydro-1H-benzo[E][2]benzofuran-3-one ac derivative (isomer 2) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.162373868 u |
| Formula |
C17H24O5 |
| InChI |
InChI=1S/C17H24O5/c1-9(18)21-10-8-11-16(2,3)6-5-7-17(11,4)13-12(10)14(19)22-15(13)20/h10-11,15,20H,5-8H2,1-4H3 |
| InChIKey |
BDLBIMUKNOJVTK-UHFFFAOYSA-N |
| SMILES |
C1(OC(C2=C1C(CC1C2(CCCC1(C)C)C)OC(=O)C)O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984006 |
![1,4-Dihydroxy-6,6,9A-trimethyl-4,5,5A,7,8,9-hexahydro-1H-benzo[E][2]benzofuran-3-one ac derivative (isomer 2)](/api/spectrum/EZ2jEkFfD0n/structure.png?h=300&w=458 "1,4-Dihydroxy-6,6,9A-trimethyl-4,5,5A,7,8,9-hexahydro-1H-benzo[E][2]benzofuran-3-one ac derivative (isomer 2)")
