| SpectraBase Compound ID | 8N5Mc3M67up |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-5(9)7-8(2,3)4-6(10)11-7/h7H,4H2,1-3H3 |
| InChIKey | FKWJFPVPTVOBBP-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 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 | DM0H5NLPuDb |
|---|---|
| Name | 5-Acetyl-4,4-dimethyl-2-oxolanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-5(9)7-8(2,3)4-6(10)11-7/h7H,4H2,1-3H3 |
| InChIKey | FKWJFPVPTVOBBP-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | C1(C(OC(C1)=O)C(=O)C)(C)C |