| SpectraBase Compound ID | 524M2S2Z6aE |
|---|---|
| InChI | InChI=1S/C13H20/c1-10(2)11-7-6-8-12(9-11)13(3,4)5/h6-10H,1-5H3 |
| InChIKey | OWOLIQXOOMFSJE-UHFFFAOYSA-N |
| Mol Weight | 176.3 g/mol |
| Molecular Formula | C13H20 |
| Exact Mass | 176.156501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3J6DGGlpaPp |
|---|---|
| Name | 1-Isopropyl-3-tert-butylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.156500644 u |
| Formula | C13H20 |
| InChI | InChI=1S/C13H20/c1-10(2)11-7-6-8-12(9-11)13(3,4)5/h6-10H,1-5H3 |
| InChIKey | OWOLIQXOOMFSJE-UHFFFAOYSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | C1(=CC(=CC=C1)C(C)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.928214 |