| SpectraBase Compound ID | 3cyhM66jMb0 |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-3-4-5-8-6-7(2)11-9(8)10/h6-7H,3-5H2,1-2H3 |
| InChIKey | RCSATRMLXFVWIJ-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 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 | 6o4Lw2ufh4C |
|---|---|
| Name | 3-Butyl-5-methyl-2(5H)-furanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-3-4-5-8-6-7(2)11-9(8)10/h6-7H,3-5H2,1-2H3 |
| InChIKey | RCSATRMLXFVWIJ-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C1(OC(C=C1CCCC)C)=O |