![2H-Pyran-2-one, tetrahydro-6-[2-(3-propyloxiranyl)ethenyl]-, [2S-[2.alpha.[E(S*)],3.beta.]]-](/api/spectrum/254AJMGTRaz/structure.png?h=300&w=458 "2H-Pyran-2-one, tetrahydro-6-[2-(3-propyloxiranyl)ethenyl]-, [2S-[2.alpha.[E(S*)],3.beta.]]-")
| SpectraBase Compound ID | 40A65y1TOKG |
|---|---|
| InChI | InChI=1S/C12H18O3/c1-2-4-10-11(15-10)8-7-9-5-3-6-12(13)14-9/h7-11H,2-6H2,1H3/b8-7+ |
| InChIKey | NBYSSYSLPVJHGS-BQYQJAHWSA-N |
| Mol Weight | 210.27 g/mol |
| Molecular Formula | C12H18O3 |
| Exact Mass | 210.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 254AJMGTRaz |
|---|---|
| Name | 2H-Pyran-2-one, tetrahydro-6-[2-(3-propyloxiranyl)ethenyl]-, [2S-[2.alpha.[E(S*)],3.beta.]]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.125594437 u |
| Formula | C12H18O3 |
| InChI | InChI=1S/C12H18O3/c1-2-4-10-11(15-10)8-7-9-5-3-6-12(13)14-9/h7-11H,2-6H2,1H3/b8-7+ |
| InChIKey | NBYSSYSLPVJHGS-BQYQJAHWSA-N |
| Molecular Weight | 210.273 g/mol |
| SMILES | C1(OC1CCC)\C=C\C1OC(=O)CCC1 |