| SpectraBase Compound ID | 9tIJvsKtjcT |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h1,3-5H2,2H3,(H,8,9) |
| InChIKey | HCLVGAZUVMWYLF-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 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 | GysWSEUZi0E |
|---|---|
| Name | 5-Hexenoic acid, 5-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-6(2)4-3-5-7(8)9/h1,3-5H2,2H3,(H,8,9) |
| InChIKey | HCLVGAZUVMWYLF-UHFFFAOYSA-N |
| SMILES | C(CCC(O)=O)C(C)=C |