![2-[[(2S)-2-oxiranyl]methoxy]benzonitrile](/api/spectrum/CULgWdTOYyD/structure.png?h=300&w=458 "2-[[(2S)-2-oxiranyl]methoxy]benzonitrile")
| SpectraBase Compound ID | Lcm2XdorRBS |
|---|---|
| InChI | InChI=1S/C10H9NO2/c11-5-8-3-1-2-4-10(8)13-7-9-6-12-9/h1-4,9H,6-7H2/t9-/m0/s1 |
| InChIKey | BIJYXIOVXFBJEP-VIFPVBQESA-N |
| Mol Weight | 175.19 g/mol |
| Molecular Formula | C10H9NO2 |
| Exact Mass | 175.063329 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CULgWdTOYyD |
|---|---|
| Name | 2-[[(2S)-2-oxiranyl]methoxy]benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.063328532 u |
| Formula | C10H9NO2 |
| InChI | InChI=1S/C10H9NO2/c11-5-8-3-1-2-4-10(8)13-7-9-6-12-9/h1-4,9H,6-7H2/t9-/m0/s1 |
| InChIKey | BIJYXIOVXFBJEP-VIFPVBQESA-N |
| Molecular Weight | 175.187 g/mol |
| SMILES | [C@]1(OC1)(COC1=C(C#N)C=CC=C1)[H] |