| SpectraBase Compound ID | BlKPz2kq1Gc |
|---|---|
| InChI | InChI=1S/C8H7ClN2O2/c1-13-8(12)6-4-5(2-3-10)7(9)11-6/h4,11H,2H2,1H3 |
| InChIKey | VEQJUWLTIGSVEM-UHFFFAOYSA-N |
| Mol Weight | 198.61 g/mol |
| Molecular Formula | C8H7ClN2O2 |
| Exact Mass | 198.019605 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7qoC1ay0rMK |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7N2O2Cl |
| InChI | InChI=1S/C8H7ClN2O2/c1-13-8(12)6-4-5(2-3-10)7(9)11-6/h4,11H,2H2,1H3 |
| InChIKey | VEQJUWLTIGSVEM-UHFFFAOYSA-N |
| Molecular Weight | 198.0195 |
| SMILES | [nH]1c(cc(c1Cl)CC#N)C(OC)=O |
| SPLASH | splash10-014i-1900000000-68ad4fa329b3a7c9d6dc |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |