| SpectraBase Compound ID | 7Mm6PBopeoN |
|---|---|
| InChI | InChI=1S/C12H22O4/c1-5-15-11(13)6-7-12(14)16-10(4)8-9(2)3/h9-10H,5-8H2,1-4H3 |
| InChIKey | GANVERJHBFPXLG-UHFFFAOYSA-N |
| Mol Weight | 230.3 g/mol |
| Molecular Formula | C12H22O4 |
| Exact Mass | 230.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kt28DB9QuCV |
|---|---|
| Name | Succinic acid, ethyl 4-methylpent-2-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/c1-5-15-11(13)6-7-12(14)16-10(4)8-9(2)3/h9-10H,5-8H2,1-4H3 |
| InChIKey | GANVERJHBFPXLG-UHFFFAOYSA-N |
| Molecular Weight | 230.304 g/mol |
| SMILES | C(C(OC(C)CC(C)C)=O)CC(OCC)=O |