| SpectraBase Compound ID | JFa3FUbk519 |
|---|---|
| InChI | InChI=1S/C21H28/c1-4-5-16-21(2,3)17-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3 |
| InChIKey | UJDCVIPPGKDTCI-UHFFFAOYSA-N |
| Mol Weight | 280.45 g/mol |
| Molecular Formula | C21H28 |
| Exact Mass | 280.219101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | JhgCyo2diAy |
|---|---|
| Name | Benzene, 1,1'-(3,3-dimethylheptylidene)bis- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 280.219100902 u |
| Formula | C21H28 |
| InChI | InChI=1S/C21H28/c1-4-5-16-21(2,3)17-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,20H,4-5,16-17H2,1-3H3 |
| InChIKey | UJDCVIPPGKDTCI-UHFFFAOYSA-N |
| SMILES | C(CC(CCCC)(C)C)(C1=CC=CC=C1)C=1C=CC=CC1 |