| SpectraBase Compound ID | 9GNfojpAXJ0 |
|---|---|
| InChI | InChI=1S/C8H7NO3/c1-6(10)12-8(5-9)7-3-2-4-11-7/h2-4,8H,1H3/t8-/m1/s1 |
| InChIKey | CGGSYJJOFDQNJX-MRVPVSSYSA-N |
| Mol Weight | 165.15 g/mol |
| Molecular Formula | C8H7NO3 |
| Exact Mass | 165.042593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LBYVDmaAdmG |
|---|---|
| Name | (R)-(+)-2-acetoxy-2-(2-furyl)acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 165.042593086 u |
| Formula | C8H7NO3 |
| InChI | InChI=1S/C8H7NO3/c1-6(10)12-8(5-9)7-3-2-4-11-7/h2-4,8H,1H3/t8-/m1/s1 |
| InChIKey | CGGSYJJOFDQNJX-MRVPVSSYSA-N |
| Molecular Weight | 165.148 g/mol |
| SMILES | C=1([C@@](C#N)(OC(=O)C)[H])OC=CC1 |