| SpectraBase Compound ID | F0jLnZxr1WN |
|---|---|
| InChI | InChI=1S/C12H18/c1-10(12(2,3)4)11-8-6-5-7-9-11/h5-10H,1-4H3 |
| InChIKey | UYOAOYYUSXVILM-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 | InowqB99X6l |
|---|---|
| Name | Benzene, (1,2,2-trimethylpropyl)- |
| 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/c1-10(12(2,3)4)11-8-6-5-7-9-11/h5-10H,1-4H3 |
| InChIKey | UYOAOYYUSXVILM-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | C(C(C)C1=CC=CC=C1)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.920465 |