| SpectraBase Compound ID | 1ut2CEArtlg |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-5-10(9(3)4)16-12(14)8-7-11(13)15-6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | GCBUWOIPOZOTHT-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 | 2puCy4YmZ9M |
|---|---|
| Name | Succinic acid, ethyl 2-methylpent-3-yl 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/c1-5-10(9(3)4)16-12(14)8-7-11(13)15-6-2/h9-10H,5-8H2,1-4H3 |
| InChIKey | GCBUWOIPOZOTHT-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(OC(C(C)C)CC)(CCC(OCC)=O)=O |