| SpectraBase Compound ID | FFNLJxtNuLS |
|---|---|
| InChI | InChI=1S/C12H18/c1-8(2)12-10(4)6-9(3)7-11(12)5/h6-8H,1-5H3 |
| InChIKey | OBSKMRWMGXHFRO-UHFFFAOYSA-N |
| Mol Weight | 162.28 g/mol |
| Molecular Formula | C12H18 |
| Exact Mass | 162.140851 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | B28QOTEpEqo |
|---|---|
| Name | 2-Isopropylmesitylene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.140850580 u |
| Formula | C12H18 |
| InChI | InChI=1S/C12H18/c1-8(2)12-10(4)6-9(3)7-11(12)5/h6-8H,1-5H3 |
| InChIKey | OBSKMRWMGXHFRO-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | CC(C1=C(C)C=C(C)C=C1C)C |
| Spectrum/Structure Validation Score (Raman) | 0.958876 |