| SpectraBase Compound ID | LFFXyo5Es5F |
|---|---|
| InChI | InChI=1S/C16H12ClNO3/c17-10-16(19)21-15(11-18)12-5-4-8-14(9-12)20-13-6-2-1-3-7-13/h1-9,15H,10H2 |
| InChIKey | NMGZXYLYKALUCY-UHFFFAOYSA-N |
| Mol Weight | 301.73 g/mol |
| Molecular Formula | C16H12ClNO3 |
| Exact Mass | 301.050571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FbkDrDaRdOl |
|---|---|
| Name | 2-Chloroacetyloxy-2-(3'-phenoxy)phenylacetonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.050570947 u |
| Formula | C16H12ClNO3 |
| InChI | InChI=1S/C16H12ClNO3/c17-10-16(19)21-15(11-18)12-5-4-8-14(9-12)20-13-6-2-1-3-7-13/h1-9,15H,10H2 |
| InChIKey | NMGZXYLYKALUCY-UHFFFAOYSA-N |
| Molecular Weight | 301.729 g/mol |
| SMILES | C(#N)C(OC(=O)CCl)C=1C=C(OC2=CC=CC=C2)C=CC1 |