![(2S)-2-[[4-[[(2S)-2-oxiranyl]methoxy]phenoxy]methyl]oxirane](/api/spectrum/FYqRnwJAc3Q/structure.png?h=300&w=458 "(2S)-2-[[4-[[(2S)-2-oxiranyl]methoxy]phenoxy]methyl]oxirane")
| SpectraBase Compound ID | IwkjAXxH9dM |
|---|---|
| InChI | InChI=1S/C12H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1-4,11-12H,5-8H2/t11-,12-/m1/s1 |
| InChIKey | FSYPIGPPWAJCJG-VXGBXAGGSA-N |
| Mol Weight | 222.24 g/mol |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYqRnwJAc3Q |
|---|---|
| Name | (2S)-2-[[4-[[(2S)-2-oxiranyl]methoxy]phenoxy]methyl]oxirane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 222.089208927 u |
| Formula | C12H14O4 |
| InChI | InChI=1S/C12H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h1-4,11-12H,5-8H2/t11-,12-/m1/s1 |
| InChIKey | FSYPIGPPWAJCJG-VXGBXAGGSA-N |
| Molecular Weight | 222.240 g/mol |
| SMILES | [C@]1(OC1)(COC1=CC=C(OC[C@]2(OC2)[H])C=C1)[H] |