| SpectraBase Compound ID | AMZa8gpy18s |
|---|---|
| InChI | InChI=1S/C30H36/c1-3-5-7-9-15-23-21-29-27-19-13-11-17-25(27)26-18-12-14-20-28(26)30(29)22-24(23)16-10-8-6-4-2/h11-14,17-22H,3-10,15-16H2,1-2H3 |
| InChIKey | YSQWLWOYCPUKSB-UHFFFAOYSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C30H36 |
| Exact Mass | 396.281701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8tY2tLr6q3 |
|---|---|
| Name | 2,3-Dihexyltriphenylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.281701159 u |
| Formula | C30H36 |
| InChI | InChI=1S/C30H36/c1-3-5-7-9-15-23-21-29-27-19-13-11-17-25(27)26-18-12-14-20-28(26)30(29)22-24(23)16-10-8-6-4-2/h11-14,17-22H,3-10,15-16H2,1-2H3 |
| InChIKey | YSQWLWOYCPUKSB-UHFFFAOYSA-N |
| Molecular Weight | 396.618 g/mol |
| SMILES | C=1C2=C(C=CC1)C=1C=C(C(=CC1C=1C=CC=CC21)CCCCCC)CCCCCC |