| SpectraBase Compound ID | QAU4iJr9n2 |
|---|---|
| InChI | InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-5H,12H2/b9-5- |
| InChIKey | KJYOCBARUBWAHD-UITAMQMPSA-N |
| Mol Weight | 178.62 g/mol |
| Molecular Formula | C9H7ClN2 |
| Exact Mass | 178.029776 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5sk2h0nbDcC |
|---|---|
| Name | (Z)-3-Amino-3-(4-chlorophenyl)-2-propenenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.029775933 u |
| Formula | C9H7ClN2 |
| InChI | InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9(12)5-6-11/h1-5H,12H2/b9-5- |
| InChIKey | KJYOCBARUBWAHD-UITAMQMPSA-N |
| Molecular Weight | 178.622 g/mol |
| SMILES | C(#N)\C=C\(C=1C=CC(=CC1)Cl)N |