| SpectraBase Compound ID | 9dY0Mzi5Eri |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h3-4,8H,2,5-6H2,1H3/b4-3- |
| InChIKey | NOMZVSQLXLVBCE-ARJAWSKDSA-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 | HVbf9cIdGyZ |
|---|---|
| Name | (Z)-but-2-en-1,4-Diol monopropionate |
| 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/c1-2-7(9)10-6-4-3-5-8/h3-4,8H,2,5-6H2,1H3/b4-3- |
| InChIKey | NOMZVSQLXLVBCE-ARJAWSKDSA-N |
| SMILES | C(\C=C/CO)OC(CC)=O |