| SpectraBase Compound ID | 8cPzkTCSxG8 |
|---|---|
| InChI | InChI=1S/C16H26/c1-7-15(3,4)13-9-11-14(12-10-13)16(5,6)8-2/h9-12H,7-8H2,1-6H3 |
| InChIKey | KNLFZJBLNQRLEL-UHFFFAOYSA-N |
| Mol Weight | 218.38 g/mol |
| Molecular Formula | C16H26 |
| Exact Mass | 218.203451 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5sci09CYNN8 |
|---|---|
| Name | Benzene, p-di-tert-pentyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.203450837 u |
| Formula | C16H26 |
| InChI | InChI=1S/C16H26/c1-7-15(3,4)13-9-11-14(12-10-13)16(5,6)8-2/h9-12H,7-8H2,1-6H3 |
| InChIKey | KNLFZJBLNQRLEL-UHFFFAOYSA-N |
| Molecular Weight | 218.384 g/mol |
| SMILES | C1=CC(=CC=C1C(C)(C)CC)C(C)(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937578 |