| SpectraBase Compound ID | 5mvdM5buo36 |
|---|---|
| InChI | InChI=1S/C12H18O/c1-9(2)10-5-7-11(8-6-10)12(3,4)13/h5-9,13H,1-4H3 |
| InChIKey | VBSMBCNJCBKQFP-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FOCbP90vGVI |
|---|---|
| Name | alpha,alpha-Dimethyl-p-isopropylbenzyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-9(2)10-5-7-11(8-6-10)12(3,4)13/h5-9,13H,1-4H3 |
| InChIKey | VBSMBCNJCBKQFP-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | OC(C1=CC=C(C=C1)C(C)C)(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.808816 |