| SpectraBase Compound ID | 309O7ENtvgm |
|---|---|
| InChI | InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3 |
| InChIKey | WCABIRIFXVXGQH-UHFFFAOYSA-N |
| Mol Weight | 232.41 g/mol |
| Molecular Formula | C17H28 |
| Exact Mass | 232.219101 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 | B8rysRins4H |
|---|---|
| Name | Benzene, (1-pentylhexyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.219100902 u |
| Formula | C17H28 |
| InChI | InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3 |
| InChIKey | WCABIRIFXVXGQH-UHFFFAOYSA-N |
| Molecular Weight | 232.411 g/mol |
| SMILES | C(C(CCCCC)C1=CC=CC=C1)CCCC |