| SpectraBase Compound ID | 3BZGrv8glHB |
|---|---|
| InChI | InChI=1S/C9H16O2/c1-3-5-6-7-8-9(10)11-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+ |
| InChIKey | MEGYTFAGBJUWGO-HWKANZROSA-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 | 2LvBviQ8wWf |
|---|---|
| Name | 5-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/h3,5H,4,6-8H2,1-2H3/b5-3+ |
| InChIKey | MEGYTFAGBJUWGO-HWKANZROSA-N |
| Molecular Weight | 156.225 g/mol |
| SMILES | C(C(OCC)=O)CC\C=C\C |