| SpectraBase Compound ID | KbyBoXEOdS4 |
|---|---|
| InChI | InChI=1S/C13H20O/c1-5-6-10-9-11(13(2,3)4)7-8-12(10)14/h7-9,14H,5-6H2,1-4H3 |
| InChIKey | MRQSVENIKVTYDC-UHFFFAOYSA-N |
| Mol Weight | 192.3 g/mol |
| Molecular Formula | C13H20O |
| Exact Mass | 192.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1a4WjprUAU4 |
|---|---|
| Name | 4-Tert-butyl-2-propyl-phenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.151415263 u |
| Formula | C13H20O |
| InChI | InChI=1S/C13H20O/c1-5-6-10-9-11(13(2,3)4)7-8-12(10)14/h7-9,14H,5-6H2,1-4H3 |
| InChIKey | MRQSVENIKVTYDC-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C=1(C=C(CCC)C(=CC1)O)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960558 |