| SpectraBase Compound ID | 6w2mMlFfQWq |
|---|---|
| InChI | InChI=1S/C16H26/c1-6-7-12(2)8-11-16-14(4)10-9-13(3)15(16)5/h9-10,12H,6-8,11H2,1-5H3 |
| InChIKey | UUCABUXZGXNPIY-UHFFFAOYSA-N |
| Mol Weight | 218.38 g/mol |
| Molecular Formula | C16H26 |
| Exact Mass | 218.203451 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GzltigBsleA |
|---|---|
| Name | Benzene, 1,2,4-trimethyl-3-(3-methylhexyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 218.203450837 u |
| Formula | C16H26 |
| InChI | InChI=1S/C16H26/c1-6-7-12(2)8-11-16-14(4)10-9-13(3)15(16)5/h9-10,12H,6-8,11H2,1-5H3 |
| InChIKey | UUCABUXZGXNPIY-UHFFFAOYSA-N |
| Molecular Weight | 218.384 g/mol |
| SMILES | c1c(c(c(c(c1)C)C)CCC(C)CCC)C |