| SpectraBase Compound ID | B9iPA8XDr7f |
|---|---|
| InChI | InChI=1S/C12H16/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8,10H,1H2,2-4H3 |
| InChIKey | BDXXZCIRCYKRBT-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C12H16 |
| Exact Mass | 160.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | FgjVMXlzZwt |
|---|---|
| Name | Benzene, 1-(1-methylethenyl)-3-(1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.125200515 u |
| Formula | C12H16 |
| InChI | InChI=1S/C12H16/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8,10H,1H2,2-4H3 |
| InChIKey | BDXXZCIRCYKRBT-UHFFFAOYSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | CC(C)C1=CC(C(C)=C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.921298 |