| SpectraBase Compound ID | K6fkFsmiJJ |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-3-4-5-7(9)6-8(10)11-2/h3,7,9H,1,4-6H2,2H3/t7-/m1/s1 |
| InChIKey | BJTMMKQKNVMWRP-SSDOTTSWSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1BQUeDJ7VqW |
|---|---|
| Name | (3R)-3-Hydroxy-6-heptenoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-3-4-5-7(9)6-8(10)11-2/h3,7,9H,1,4-6H2,2H3/t7-/m1/s1 |
| InChIKey | BJTMMKQKNVMWRP-SSDOTTSWSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(C[C@](O)(CCC=C)[H])(=O)OC |