| SpectraBase Compound ID | 3XddZW5kRrm |
|---|---|
| InChI | InChI=1S/C10H10ClN/c1-8(5-6-12)9-3-2-4-10(11)7-9/h2-4,7-8H,5H2,1H3 |
| InChIKey | PJMKNRWQZKTBJU-UHFFFAOYSA-N |
| Mol Weight | 179.65 g/mol |
| Molecular Formula | C10H10ClN |
| Exact Mass | 179.050177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HhqXeuLJTdc |
|---|---|
| Name | 3-(3-Chlorophenyl)butanenitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 179.050177026 u |
| Formula | C10H10ClN |
| InChI | InChI=1S/C10H10ClN/c1-8(5-6-12)9-3-2-4-10(11)7-9/h2-4,7-8H,5H2,1H3 |
| InChIKey | PJMKNRWQZKTBJU-UHFFFAOYSA-N |
| Molecular Weight | 179.650 g/mol |
| SMILES | C=1(C=C(C(CC#N)C)C=CC1)Cl |