SpectraBase Spectrum ID |
FQgWOyoBC9N |
Name |
Cyclohexane, 1,1'-[4-(2-cyclohexylethyl)-1,7-heptanediyl]bis- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
374.391251610 u |
Formula |
C27H50 |
InChI |
InChI=1S/C27H50/c1-4-12-24(13-5-1)18-10-20-27(23-22-26-16-8-3-9-17-26)21-11-19-25-14-6-2-7-15-25/h24-27H,1-23H2 |
InChIKey |
QPVBAOQHHTZPBA-UHFFFAOYSA-N |
Molecular Weight |
374.697 g/mol |
SMILES |
C(CC(CCCC1CCCCC1)CCCC1CCCCC1)C1CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963972 |