| SpectraBase Compound ID | JgzZCGkRwuM |
|---|---|
| InChI | InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3 |
| InChIKey | ZDWSNKPLZUXBPE-UHFFFAOYSA-N |
| Mol Weight | 206.33 g/mol |
| Molecular Formula | C14H22O |
| Exact Mass | 206.167065 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1vquVCysuEF |
|---|---|
| Name | 3,5-di-Tert-butylphenol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.167065327 u |
| Formula | C14H22O |
| InChI | InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3 |
| InChIKey | ZDWSNKPLZUXBPE-UHFFFAOYSA-N |
| Molecular Weight | 206.329 g/mol |
| SMILES | OC=1C=C(C=C(C1)C(C)(C)C)C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.959247 |