| SpectraBase Compound ID | C67tYg66JED |
|---|---|
| InChI | InChI=1S/C12H20O3/c1-3-4-7-11(8-5-6-9-13)10-12(14)15-2/h3,10,13H,1,4-9H2,2H3/b11-10- |
| InChIKey | XFGUHUUHMFMXCV-KHPPLWFESA-N |
| Mol Weight | 212.29 g/mol |
| Molecular Formula | C12H20O3 |
| Exact Mass | 212.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 21b9E0veZjb |
|---|---|
| Name | (E,Z)-Methyl 3-(3-butenyl)-7-hydroxyhept-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.141244501 u |
| Formula | C12H20O3 |
| InChI | InChI=1S/C12H20O3/c1-3-4-7-11(8-5-6-9-13)10-12(14)15-2/h3,10,13H,1,4-9H2,2H3/b11-10- |
| InChIKey | XFGUHUUHMFMXCV-KHPPLWFESA-N |
| Molecular Weight | 212.289 g/mol |
| SMILES | C(\C=C\(CCC=C)CCCCO)(=O)OC |