| SpectraBase Compound ID | 3EV1ucGeqWr |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-4-7(9)11-6(3)12-8(10)5-2/h4,6H,1,5H2,2-3H3 |
| InChIKey | UCDXXPPOQCUMOL-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 826G7Ygrkk0 |
|---|---|
| Name | 2-Propenoic acid, (1-propionato)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.073558862 u |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-4-7(9)11-6(3)12-8(10)5-2/h4,6H,1,5H2,2-3H3 |
| InChIKey | UCDXXPPOQCUMOL-UHFFFAOYSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | C(=O)(C=C)OC(C)OC(=O)CC |