| SpectraBase Compound ID | 1VHBKxfe7UZ |
|---|---|
| InChI | InChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3 |
| InChIKey | KZEKELDMLDBVFV-UHFFFAOYSA-N |
| Mol Weight | 198.31 g/mol |
| Molecular Formula | C12H22O2 |
| Exact Mass | 198.16198 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 | HP4sJsxrOy |
|---|---|
| Name | 5,5-Dibutyl-2-oxolanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.161979946 u |
| Formula | C12H22O2 |
| InChI | InChI=1S/C12H22O2/c1-3-5-8-12(9-6-4-2)10-7-11(13)14-12/h3-10H2,1-2H3 |
| InChIKey | KZEKELDMLDBVFV-UHFFFAOYSA-N |
| Molecular Weight | 198.306 g/mol |
| SMILES | C1(OC(CC1)(CCCC)CCCC)=O |