| SpectraBase Compound ID | C9MCA8CP8m6 |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-3-6(8)4-5-7(9)10-2/h4-6,8H,3H2,1-2H3/b5-4+/t6-/m0/s1 |
| InChIKey | OJSUVKLSWRWMJO-OVCGOVNKSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9q21RRItcoO |
|---|---|
| Name | Methyl (E,4S)-4-hydroxy-2-hexenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-3-6(8)4-5-7(9)10-2/h4-6,8H,3H2,1-2H3/b5-4+/t6-/m0/s1 |
| InChIKey | OJSUVKLSWRWMJO-OVCGOVNKSA-N |
| SMILES | C(\C=C\[C@@](O)(CC)[H])(=O)OC |