SpectraBase Spectrum ID |
LHOA7mWckbG |
Name |
2,2'-Methylenebis(4-methyl-6-methylcyclohexylphenol) |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
420.302830526 u |
Formula |
C29H40O2 |
InChI |
InChI=1S/C29H40O2/c1-18-13-22(28(30)26(15-18)24-11-7-5-9-20(24)3)17-23-14-19(2)16-27(29(23)31)25-12-8-6-10-21(25)4/h13-16,20-21,24-25,30-31H,5-12,17H2,1-4H3 |
InChIKey |
QIEFMYFGTMMHEN-UHFFFAOYSA-N |
Molecular Weight |
420.637 g/mol |
SMILES |
OC1=C(C=C(C=C1CC=1C(=C(C=C(C1)C)C1CCCCC1C)O)C)C1CCCCC1C |
Spectrum/Structure Validation Score (Raman) |
0.984713 |