| SpectraBase Compound ID | HaslhotgaBU |
|---|---|
| InChI | InChI=1S/C29H52/c1-5-7-9-11-13-15-17-19-21-28(29-25-26(3)23-24-27(29)4)22-20-18-16-14-12-10-8-6-2/h23-25,28H,5-22H2,1-4H3 |
| InChIKey | XDZKZNNMWLIULQ-UHFFFAOYSA-N |
| Mol Weight | 400.7 g/mol |
| Molecular Formula | C29H52 |
| Exact Mass | 400.406902 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LBgrBeSdXR |
|---|---|
| Name | Benzene, 2-(1-decylundecyl)-1,4-dimethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 400.406901674 u |
| Formula | C29H52 |
| InChI | InChI=1S/C29H52/c1-5-7-9-11-13-15-17-19-21-28(29-25-26(3)23-24-27(29)4)22-20-18-16-14-12-10-8-6-2/h23-25,28H,5-22H2,1-4H3 |
| InChIKey | XDZKZNNMWLIULQ-UHFFFAOYSA-N |
| Molecular Weight | 400.735 g/mol |
| SMILES | C(C(CCCCCCCCCC)C1=C(C)C=CC(=C1)C)CCCCCCCCC |