| SpectraBase Compound ID | A7pHjlzROzP |
|---|---|
| InChI | InChI=1S/C15H16/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13/h3-12H,1-2H3 |
| InChIKey | LIWRTHVZRZXVFX-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C15H16 |
| Exact Mass | 196.125201 g/mol |
| SpectraBase Spectrum ID | 83AP2Y495VI |
|---|---|
| Name | 1,1'-Biphenyl, 3-(1-methylethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.125200515 u |
| Formula | C15H16 |
| InChI | InChI=1S/C15H16/c1-12(2)14-9-6-10-15(11-14)13-7-4-3-5-8-13/h3-12H,1-2H3 |
| InChIKey | LIWRTHVZRZXVFX-UHFFFAOYSA-N |
| Molecular Weight | 196.293 g/mol |
| SMILES | C1=C(C=CC=C1)C1=CC=CC(=C1)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.911615 |