| SpectraBase Compound ID | BlQ5ldm0A6H |
|---|---|
| InChI | InChI=1S/C13H20/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3 |
| InChIKey | ZQVJKYPEIPJEIP-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 | F5YyKWU5fAp |
|---|---|
| Name | 5-Tert.-butyl-1,2,3-trimethyl-benzene |
| 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/c1-9-7-12(13(4,5)6)8-10(2)11(9)3/h7-8H,1-6H3 |
| InChIKey | ZQVJKYPEIPJEIP-UHFFFAOYSA-N |
| Molecular Weight | 176.303 g/mol |
| SMILES | C=1C(C)=C(C)C(C)=CC1C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951852 |