| SpectraBase Compound ID | Diri1e1hP8G |
|---|---|
| InChI | InChI=1S/C13H18O/c1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h7-8,14H,4-6H2,1-3H3 |
| InChIKey | CJQCYICTQKBKLY-UHFFFAOYSA-N |
| Mol Weight | 190.29 g/mol |
| Molecular Formula | C13H18O |
| Exact Mass | 190.135765 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1GE9KaFt017 |
|---|---|
| Name | 6-Tert-butyl-5-indanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.135765199 u |
| Formula | C13H18O |
| InChI | InChI=1S/C13H18O/c1-13(2,3)11-7-9-5-4-6-10(9)8-12(11)14/h7-8,14H,4-6H2,1-3H3 |
| InChIKey | CJQCYICTQKBKLY-UHFFFAOYSA-N |
| Molecular Weight | 190.286 g/mol |
| SMILES | OC1=CC=2CCCC2C=C1C(C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.897044 |