| SpectraBase Compound ID | 6vK8sgYNvXh |
|---|---|
| InChI | InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h3-7H2,1-2H3 |
| InChIKey | FYUUBXZYRPRIHC-UHFFFAOYSA-N |
| Mol Weight | 112.22 g/mol |
| Molecular Formula | C8H16 |
| Exact Mass | 112.125201 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 | GBzudjVN4RT |
|---|---|
| Name | Heptane, 4-methylene- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.125200515 u |
| Formula | C8H16 |
| InChI | InChI=1S/C8H16/c1-4-6-8(3)7-5-2/h3-7H2,1-2H3 |
| InChIKey | FYUUBXZYRPRIHC-UHFFFAOYSA-N |
| Molecular Weight | 112.216 g/mol |
| SMILES | C(C(CCC)=C)CC |