| SpectraBase Compound ID | 8jdgjy8rk8O |
|---|---|
| InChI | InChI=1S/C14H28O3/c1-6-8-9-12(7-2)10-16-13(15)17-11-14(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | LGERJXMQUXDYGA-UHFFFAOYSA-N |
| Mol Weight | 244.37 g/mol |
| Molecular Formula | C14H28O3 |
| Exact Mass | 244.203845 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 | u2kg5FkqKl |
|---|---|
| Name | Carbonic acid, neopentyl 2-ethylhexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.203844759 u |
| Formula | C14H28O3 |
| InChI | InChI=1S/C14H28O3/c1-6-8-9-12(7-2)10-16-13(15)17-11-14(3,4)5/h12H,6-11H2,1-5H3 |
| InChIKey | LGERJXMQUXDYGA-UHFFFAOYSA-N |
| Molecular Weight | 244.375 g/mol |
| SMILES | CC(COC(=O)OCC(CC)CCCC)(C)C |