| SpectraBase Compound ID | Ee6hZstEDGn |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-5-15-10(13)7-6-8-11(14)16-9-12(2,3)4/h5-9H2,1-4H3 |
| InChIKey | BIBNLWLYFRCTPS-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 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 | AGWYqoD4BdE |
|---|---|
| Name | Glutaric acid, ethyl neopentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.151809184 u |
| Formula | C12H22O4 |
| InChI | InChI=1S/C12H22O4/c1-5-15-10(13)7-6-8-11(14)16-9-12(2,3)4/h5-9H2,1-4H3 |
| InChIKey | BIBNLWLYFRCTPS-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | CC(C)(C)COC(=O)CCCC(OCC)=O |