| SpectraBase Compound ID | 57IUVlrHmT2 |
|---|---|
| InChI | InChI=1S/C13H20O/c1-6-10-8-11(13(3,4)5)12(14)7-9(10)2/h7-8,14H,6H2,1-5H3 |
| InChIKey | NDMARPMDNRJSNY-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 | dRA1NPtrWJ |
|---|---|
| Name | 2-Tert-butyl-4-ethyl-5-methyl-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/c1-6-10-8-11(13(3,4)5)12(14)7-9(10)2/h7-8,14H,6H2,1-5H3 |
| InChIKey | NDMARPMDNRJSNY-UHFFFAOYSA-N |
| Molecular Weight | 192.302 g/mol |
| SMILES | C=1(C=C(CC)C(=CC1O)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969761 |