| SpectraBase Compound ID | 9tucvdQgXsL |
|---|---|
| InChI | InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H |
| InChIKey | GJNGXPDXRVXSEH-UHFFFAOYSA-N |
| Mol Weight | 137.57 g/mol |
| Molecular Formula | C7H4ClN |
| Exact Mass | 137.003227 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DohFtkPXX60 |
|---|---|
| Name | 4-Chlorobenzonitrile |
| CAS Registry Number | 623-03-0 |
| Classification | Intermediate |
| Copyright | Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass | 137.003226833 u |
| Formula | C7H4ClN |
| InChI | InChI=1S/C7H4ClN/c8-7-3-1-6(5-9)2-4-7/h1-4H |
| InChIKey | GJNGXPDXRVXSEH-UHFFFAOYSA-N |
| Ionization Type | Electron Ionization (EI) |
| Molecular Weight | 137.569 g/mol |
| Nominal Mass | 137 u |
| Quality | 990 |
| Retention Index | 991 |
| SMILES | C1(=CC=C(C=C1)Cl)C#N |
| SPLASH | splash10-000i-4900000000-71f5d8cdfe5803a696de |
| Source of Spectrum | DigiLab GmbH (C) 2024 |
| Technique | GC/MS |
| Wiley ID | DD2024_000533 |