| SpectraBase Compound ID | KI7bVfY9tR1 |
|---|---|
| InChI | InChI=1S/C14H18O6/c1-3-5-13(16)20-12(11-6-4-7-19-11)8-10(15)9-14(17)18-2/h4,6-7,12H,3,5,8-9H2,1-2H3/t12-/m0/s1 |
| InChIKey | GKPULOZWEBRDCH-LBPRGKRZSA-N |
| Mol Weight | 282.29 g/mol |
| Molecular Formula | C14H18O6 |
| Exact Mass | 282.110338 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 | J0AJDNrI6Sd |
|---|---|
| Name | (5S)-Methyl .delta-butyryloxy-.delta.-(furan-2-yl)-.beta.-oxo-pentanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.110338294 u |
| Formula | C14H18O6 |
| InChI | InChI=1S/C14H18O6/c1-3-5-13(16)20-12(11-6-4-7-19-11)8-10(15)9-14(17)18-2/h4,6-7,12H,3,5,8-9H2,1-2H3/t12-/m0/s1 |
| InChIKey | GKPULOZWEBRDCH-LBPRGKRZSA-N |
| SMILES | C=1([C@](CC(CC(=O)OC)=O)(OC(=O)CCC)[H])OC=CC1 |