| SpectraBase Compound ID | 53mpUkTudPa |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+ |
| InChIKey | GITGIBUELGTBSG-AATRIKPKSA-N |
| Mol Weight | 156.22 g/mol |
| Molecular Formula | C9H16O2 |
| Exact Mass | 156.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 403GCxc23Hl |
|---|---|
| Name | 4-Heptenoic acid, ethyl ester, (E)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.115029753 u |
| Formula | C9H16O2 |
| InChI | InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h5-6H,3-4,7-8H2,1-2H3/b6-5+ |
| InChIKey | GITGIBUELGTBSG-AATRIKPKSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(C(OCC)=O)C\C=C\CC |