| SpectraBase Compound ID | 8M1NH3WhqqK |
|---|---|
| InChI | InChI=1S/C12H17Cl/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-8H,4,9H2,1-3H3 |
| InChIKey | GZSVKIJGGVPFGX-UHFFFAOYSA-N |
| Mol Weight | 196.72 g/mol |
| Molecular Formula | C12H17Cl |
| Exact Mass | 196.101878 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Ge6ZFrG35Al |
|---|---|
| Name | alpha-Chloro-p-tert-pentyltoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.101878247 u |
| Formula | C12H17Cl |
| InChI | InChI=1S/C12H17Cl/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-8H,4,9H2,1-3H3 |
| InChIKey | GZSVKIJGGVPFGX-UHFFFAOYSA-N |
| Molecular Weight | 196.721 g/mol |
| SMILES | CC(C=1C=CC(=CC1)CCl)(CC)C |
| Spectrum/Structure Validation Score (Raman) | 0.912268 |