| SpectraBase Compound ID | BJQOIxC3J2H |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-3-5-6-7-10-16-12(14)9-8-11(13)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+ |
| InChIKey | WKZZFRSJSZINKQ-AATRIKPKSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fho8kmZmtLQ |
|---|---|
| Name | Succinic acid, ethyl trans-hex-3-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-3-5-6-7-10-16-12(14)9-8-11(13)15-4-2/h5-6H,3-4,7-10H2,1-2H3/b6-5+ |
| InChIKey | WKZZFRSJSZINKQ-AATRIKPKSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(OCC\C=C\CC)(CCC(OCC)=O)=O |