| SpectraBase Compound ID | DNneQSIx55n |
|---|---|
| InChI | InChI=1S/C6H6ClN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3 |
| InChIKey | DZNXMHJMXLSNIR-UHFFFAOYSA-N |
| Mol Weight | 127.57 g/mol |
| Molecular Formula | C6H6ClN |
| Exact Mass | 127.018877 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4EuYVr85iXL |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C6H6ClN |
| InChI | InChI=1S/C6H6ClN/c1-5-4-8-3-2-6(5)7/h2-4H,1H3 |
| InChIKey | DZNXMHJMXLSNIR-UHFFFAOYSA-N |
| Molecular Weight | 127.0188 |
| SMILES | c1ncc(C)c(Cl)c1 |
| SPLASH | splash10-004l-9500000000-e24c6b8285723d84714e |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |