| SpectraBase Compound ID | 9y4vbJaoRZL |
|---|---|
| InChI | InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3 |
| InChIKey | XOUQAVYLRNOXDO-UHFFFAOYSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CXoVy6R192 |
|---|---|
| Name | 6-Tert-butyl-m-cresol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-8-5-6-9(10(12)7-8)11(2,3)4/h5-7,12H,1-4H3 |
| InChIKey | XOUQAVYLRNOXDO-UHFFFAOYSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | OC=1C=C(C=CC1C(C)(C)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.964603 |