| SpectraBase Spectrum ID |
IM21WU06fVi |
| Name |
[3-Benzoyl-4-[(E)-3,3-dimethylbut-1-enyl]-4-hydroxy-2,5,6-trimethyl-cyclohexyl]-phenyl-methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
432.266445016 u |
| Formula |
C29H36O3 |
| InChI |
InChI=1S/C29H36O3/c1-19-21(3)29(32,18-17-28(4,5)6)25(27(31)23-15-11-8-12-16-23)20(2)24(19)26(30)22-13-9-7-10-14-22/h7-21,24-25,32H,1-6H3/b18-17+ |
| InChIKey |
WFTOUXAYLLEHOU-ISLYRVAYSA-N |
| Molecular Weight |
432.604 g/mol |
| SMILES |
C1(C(C(C)C(C(C1C)C)C(=O)C1=CC=CC=C1)C(=O)C=1C=CC=CC1)(\C=C\C(C)(C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.808677 |
![[3-benzoyl-4-[(E)-3,3-dimethylbut-1-enyl]-4-hydroxy-2,5,6-trimethyl-cyclohexyl]-phenyl-methanone](/api/spectrum/IM21WU06fVi/structure.png?h=300&w=458 "[3-benzoyl-4-[(E)-3,3-dimethylbut-1-enyl]-4-hydroxy-2,5,6-trimethyl-cyclohexyl]-phenyl-methanone")
