| SpectraBase Compound ID | 9CkB2AAGCMG |
|---|---|
| InChI | InChI=1S/C18H22/c1-12-9-10-17(11-14(12)3)16(5)18-8-6-7-13(2)15(18)4/h6-11,16H,1-5H3 |
| InChIKey | GAYGTTQJQBOZLS-UHFFFAOYSA-N |
| Mol Weight | 238.37 g/mol |
| Molecular Formula | C18H22 |
| Exact Mass | 238.172151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IlWUIrd9iv4 |
|---|---|
| Name | Ethane, 1-(2,3-xylyl)-1-(3,4-xylyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.172150708 u |
| Formula | C18H22 |
| InChI | InChI=1S/C18H22/c1-12-9-10-17(11-14(12)3)16(5)18-8-6-7-13(2)15(18)4/h6-11,16H,1-5H3 |
| InChIKey | GAYGTTQJQBOZLS-UHFFFAOYSA-N |
| Molecular Weight | 238.374 g/mol |
| SMILES | CC(C1=C(C)C(C)=CC=C1)C1=CC(C)=C(C=C1)C |