| SpectraBase Compound ID | K1vojqq7B7g |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-3-5-6-7(11-6)8(9)10-4-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1 |
| InChIKey | MRUCFECRMITDHC-RQJHMYQMSA-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 | Ewjo1P5HXSx |
|---|---|
| Name | (2S,3R)-3-Propyl-2-oxiranecarboxylic acid ethyl 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/c1-3-5-6-7(11-6)8(9)10-4-2/h6-7H,3-5H2,1-2H3/t6-,7+/m1/s1 |
| InChIKey | MRUCFECRMITDHC-RQJHMYQMSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | [C@]1(O[C@@]1(CCC)[H])(C(=O)OCC)[H] |