| SpectraBase Spectrum ID |
6RPoHQLcY57 |
| Name |
Cyclohexane, 1,1'-[1-(2,2-dimethylbutyl)-1,3-propanediyl]bis- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.313001288 u |
| Formula |
C21H40 |
| InChI |
InChI=1S/C21H40/c1-4-21(2,3)17-20(19-13-9-6-10-14-19)16-15-18-11-7-5-8-12-18/h18-20H,4-17H2,1-3H3 |
| InChIKey |
AMMHVZAJNHFTCZ-UHFFFAOYSA-N |
| Molecular Weight |
292.551 g/mol |
| SMILES |
C1CCCCC1CCC(C1CCCCC1)CC(C)(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872813 |
![Cyclohexane, 1,1'-[1-(2,2-dimethylbutyl)-1,3-propanediyl]bis-](/api/spectrum/6RPoHQLcY57/structure.png?h=300&w=458 "Cyclohexane, 1,1'-[1-(2,2-dimethylbutyl)-1,3-propanediyl]bis-")
