| SpectraBase Compound ID | Cida6EVS6LE |
|---|---|
| InChI | InChI=1S/C12H18/c1-3-7-11(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3 |
| InChIKey | LFBQYMCKHGBSJY-UHFFFAOYSA-N |
| Mol Weight | 162.28 g/mol |
| Molecular Formula | C12H18 |
| Exact Mass | 162.140851 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvMDfERwPaP |
|---|---|
| Name | Benzene, (2-methylpentyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.140850580 u |
| Formula | C12H18 |
| InChI | InChI=1S/C12H18/c1-3-7-11(2)10-12-8-5-4-6-9-12/h4-6,8-9,11H,3,7,10H2,1-2H3 |
| InChIKey | LFBQYMCKHGBSJY-UHFFFAOYSA-N |
| Molecular Weight | 162.276 g/mol |
| SMILES | C(CC1=CC=CC=C1)(CCC)C |