![Benzene, 1,1'-[1-(3-methyl-3-butenyl)-1,3-propanediyl]bis[4-methyl-](/api/spectrum/82aB8fqRYGt/structure.png?h=300&w=458 "Benzene, 1,1'-[1-(3-methyl-3-butenyl)-1,3-propanediyl]bis[4-methyl-")
| SpectraBase Compound ID | 6VLoPVsD813 |
|---|---|
| InChI | InChI=1S/C22H28/c1-17(2)5-13-21(22-14-8-19(4)9-15-22)16-12-20-10-6-18(3)7-11-20/h6-11,14-15,21H,1,5,12-13,16H2,2-4H3 |
| InChIKey | MPUIXSPCTJVSEZ-UHFFFAOYSA-N |
| Mol Weight | 292.47 g/mol |
| Molecular Formula | C22H28 |
| Exact Mass | 292.219101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 82aB8fqRYGt |
|---|---|
| Name | Benzene, 1,1'-[1-(3-methyl-3-butenyl)-1,3-propanediyl]bis[4-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.219100902 u |
| Formula | C22H28 |
| InChI | InChI=1S/C22H28/c1-17(2)5-13-21(22-14-8-19(4)9-15-22)16-12-20-10-6-18(3)7-11-20/h6-11,14-15,21H,1,5,12-13,16H2,2-4H3 |
| InChIKey | MPUIXSPCTJVSEZ-UHFFFAOYSA-N |
| SMILES | C(C(CCC(C)=C)C1=CC=C(C=C1)C)CC1=CC=C(C=C1)C |