| SpectraBase Spectrum ID |
E7djZc5TEyy |
| Name |
Benzene, (1,1,4,6,6-pentamethylheptyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.234750966 u |
| Formula |
C18H30 |
| InChI |
InChI=1S/C18H30/c1-15(14-17(2,3)4)12-13-18(5,6)16-10-8-7-9-11-16/h7-11,15H,12-14H2,1-6H3 |
| InChIKey |
UTXRCLGZQJOBBN-UHFFFAOYSA-N |
| Molecular Weight |
246.438 g/mol |
| SMILES |
C(C(C)(C)C1=CC=CC=C1)CC(CC(C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934211 |
