| SpectraBase Compound ID | 44PS37VxSGe |
|---|---|
| InChI | InChI=1S/C12H18/c1-5-10-7-6-8-11(9-10)12(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | MUJPTTGNHRHIPH-UHFFFAOYSA-N |
| Mol Weight | 162.28 g/mol |
| Molecular Formula | C12H18 |
| Exact Mass | 162.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ChBYo3FHGsd |
|---|---|
| Name | Benzene, 1-(1,1-dimethylethyl)-3-ethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.140850580 u |
| Formula | C12H18 |
| InChI | InChI=1S/C12H18/c1-5-10-7-6-8-11(9-10)12(2,3)4/h6-9H,5H2,1-4H3 |
| InChIKey | MUJPTTGNHRHIPH-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | C1(=CC(=CC=C1)CC)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922596 |