| SpectraBase Compound ID | 1nXY7sTJCvb |
|---|---|
| InChI | InChI=1S/C12H18/c1-9(2)7-12-8-10(3)5-6-11(12)4/h5-6,8-9H,7H2,1-4H3 |
| InChIKey | IWEUJYZCURHZFV-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 | LpCG7Q2cGWE |
|---|---|
| Name | Benzene, 1,4-dimethyl-2-(2-methylpropyl)- |
| 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/c1-9(2)7-12-8-10(3)5-6-11(12)4/h5-6,8-9H,7H2,1-4H3 |
| InChIKey | IWEUJYZCURHZFV-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | C(CC1=C(C)C=CC(=C1)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948467 |