| SpectraBase Compound ID | 2TdSM8w6oLp |
|---|---|
| InChI | InChI=1S/C20H34/c1-5-6-7-8-9-10-11-12-13-14-20-18(3)15-17(2)16-19(20)4/h15-16H,5-14H2,1-4H3 |
| InChIKey | UDKBUPQTNQPGLS-UHFFFAOYSA-N |
| Mol Weight | 274.5 g/mol |
| Molecular Formula | C20H34 |
| Exact Mass | 274.266051 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LqDrbmCw1nj |
|---|---|
| Name | 1,3,5-Trimethyl-2-undecylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 274.266051095 u |
| Formula | C20H34 |
| InChI | InChI=1S/C20H34/c1-5-6-7-8-9-10-11-12-13-14-20-18(3)15-17(2)16-19(20)4/h15-16H,5-14H2,1-4H3 |
| InChIKey | UDKBUPQTNQPGLS-UHFFFAOYSA-N |
| Molecular Weight | 274.492 g/mol |
| SMILES | C=1(C(=C(C=C(C1)C)C)CCCCCCCCCCC)C |