![Methyl (E)-3-[(2R,3R)-3-pentyloxiran-2-yl]prop-2-enoate](/api/spectrum/ERbnSpL34iA/structure.png?h=300&w=458 "Methyl (E)-3-[(2R,3R)-3-pentyloxiran-2-yl]prop-2-enoate")
| SpectraBase Compound ID | HTkJIDLDYCT |
|---|---|
| InChI | InChI=1S/C11H18O3/c1-3-4-5-6-9-10(14-9)7-8-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7+/t9-,10-/m1/s1 |
| InChIKey | PWAMTFDHCGWXSQ-WENXHQBNSA-N |
| Mol Weight | 198.26 g/mol |
| Molecular Formula | C11H18O3 |
| Exact Mass | 198.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ERbnSpL34iA |
|---|---|
| Name | Methyl (E)-3-[(2R,3R)-3-pentyloxiran-2-yl]prop-2-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.125594437 u |
| Formula | C11H18O3 |
| InChI | InChI=1S/C11H18O3/c1-3-4-5-6-9-10(14-9)7-8-11(12)13-2/h7-10H,3-6H2,1-2H3/b8-7+/t9-,10-/m1/s1 |
| InChIKey | PWAMTFDHCGWXSQ-WENXHQBNSA-N |
| Molecular Weight | 198.262 g/mol |
| SMILES | [C@@]1([C@](O1)(CCCCC)[H])(\C=C\C(OC)=O)[H] |