![rac-Hydroxy-[5-(2-chlorophenyl)furan-2-yl]acetonitrile](/api/spectrum/3Ec2l19TumW/structure.png?h=300&w=458 "rac-Hydroxy-[5-(2-chlorophenyl)furan-2-yl]acetonitrile")
| SpectraBase Compound ID | ENjDyDQ5g3G |
|---|---|
| InChI | InChI=1S/C12H8ClNO2/c13-9-4-2-1-3-8(9)11-5-6-12(16-11)10(15)7-14/h1-6,10,15H |
| InChIKey | ZCXFCRGWPNXVNQ-UHFFFAOYSA-N |
| Mol Weight | 233.65 g/mol |
| Molecular Formula | C12H8ClNO2 |
| Exact Mass | 233.024356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Ec2l19TumW |
|---|---|
| Name | rac-Hydroxy-[5-(2-chlorophenyl)furan-2-yl]acetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.024356200 u |
| Formula | C12H8ClNO2 |
| InChI | InChI=1S/C12H8ClNO2/c13-9-4-2-1-3-8(9)11-5-6-12(16-11)10(15)7-14/h1-6,10,15H |
| InChIKey | ZCXFCRGWPNXVNQ-UHFFFAOYSA-N |
| Molecular Weight | 233.654 g/mol |
| SMILES | C=1(OC(C(C#N)O)=CC1)C=1C(Cl)=CC=CC1 |