| SpectraBase Spectrum ID |
8c8K5tnpt4l |
| Name |
4-[1-(4-Chlorophenyl)ethyl]-1,2-dimethyl-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.101878247 u |
| Formula |
C16H17Cl |
| InChI |
InChI=1S/C16H17Cl/c1-11-4-5-15(10-12(11)2)13(3)14-6-8-16(17)9-7-14/h4-10,13H,1-3H3 |
| InChIKey |
IXKGQEVZDWFOBM-UHFFFAOYSA-N |
| Molecular Weight |
244.765 g/mol |
| SMILES |
C(C)(C=1C=CC(=CC1)Cl)C=1C=C(C(=CC1)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890554 |
![4-[1-(4-Chlorophenyl)ethyl]-1,2-dimethyl-benzene](/api/spectrum/8c8K5tnpt4l/structure.png?h=300&w=458 "4-[1-(4-Chlorophenyl)ethyl]-1,2-dimethyl-benzene")
