| SpectraBase Compound ID | K8EP07RJ5yh |
|---|---|
| InChI | InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3 |
| InChIKey | RRPCXIBGXYGQNC-UHFFFAOYSA-N |
| Mol Weight | 232.41 g/mol |
| Molecular Formula | C17H28 |
| Exact Mass | 232.219101 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5W0WjOPt7XP |
|---|---|
| Name | Benzene, (1-butylheptyl)- |
| 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/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3 |
| InChIKey | RRPCXIBGXYGQNC-UHFFFAOYSA-N |
| Molecular Weight | 232.411 g/mol |
| SMILES | C(C(CCCC)C1=CC=CC=C1)CCCCC |