| SpectraBase Spectrum ID |
34leEU9GbJ4 |
| Name |
1-Methyl-2,4-di(neopentyl)benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.219100902 u |
| Formula |
C17H28 |
| InChI |
InChI=1S/C17H28/c1-13-8-9-14(11-16(2,3)4)10-15(13)12-17(5,6)7/h8-10H,11-12H2,1-7H3 |
| InChIKey |
GLIKTLUQNYFFKJ-UHFFFAOYSA-N |
| Molecular Weight |
232.411 g/mol |
| SMILES |
C1(CC(C)(C)C)=CC(CC(C)(C)C)=CC=C1C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908675 |
