| SpectraBase Spectrum ID |
26etLacLWfd |
| Name |
1-[3-Hydroxy-3-(3-methoxyphenyl)-1-pyopynyl]-4-T-butyl-1-cyclohexanol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.203844759 u |
| Formula |
C20H28O3 |
| InChI |
InChI=1S/C20H28O3/c1-19(2,3)16-8-11-20(22,12-9-16)13-10-18(21)15-6-5-7-17(14-15)23-4/h5-7,14,16,18,21-22H,8-9,11-12H2,1-4H3 |
| InChIKey |
JJUONJMEOXFXRV-UHFFFAOYSA-N |
| Molecular Weight |
316.441 g/mol |
| SMILES |
C(#CC1(CCC(C(C)(C)C)CC1)O)C(C=1C=C(OC)C=CC1)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939908 |
![1-[3-Hydroxy-3-(3-methoxyphenyl)-1-pyopynyl]-4-t-butyl-1-cyclohexanol](/api/spectrum/26etLacLWfd/structure.png?h=300&w=458 "1-[3-Hydroxy-3-(3-methoxyphenyl)-1-pyopynyl]-4-t-butyl-1-cyclohexanol")
