SpectraBase Spectrum ID |
JoKg3BlcIcw |
Name |
5-Methyl-2-(p-biphenylyl)-1-hexanol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
268.182715392 u |
Formula |
C19H24O |
InChI |
InChI=1S/C19H24O/c1-15(2)8-9-19(14-20)18-12-10-17(11-13-18)16-6-4-3-5-7-16/h3-7,10-13,15,19-20H,8-9,14H2,1-2H3 |
InChIKey |
NCXXJAGGPITQDI-UHFFFAOYSA-N |
Molecular Weight |
268.400 g/mol |
SMILES |
OCC(C=1C=CC(=CC1)C1=CC=CC=C1)CCC(C)C |
Spectrum/Structure Validation Score (Raman) |
0.899575 |