SpectraBase Spectrum ID |
LXbcnPXKy1l |
Name |
Benzene, [3-(2-cyclohexylethyl)-6-cyclopentylhexyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
340.313001288 u |
Formula |
C25H40 |
InChI |
InChI=1S/C25H40/c1-3-10-23(11-4-1)18-20-25(17-9-16-22-14-7-8-15-22)21-19-24-12-5-2-6-13-24/h1,3-4,10-11,22,24-25H,2,5-9,12-21H2 |
InChIKey |
DQHMQFJGANEDIX-UHFFFAOYSA-N |
Molecular Weight |
340.595 g/mol |
SMILES |
C(CCC1CCCCC1)(CCC1=CC=CC=C1)CCCC1CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901318 |