| SpectraBase Compound ID | JWksCCXNHUt |
|---|---|
| InChI | InChI=1S/C11H10ClN3O2/c1-17-11(16)9-7(3-2-5-13)8(4-6-14)10(12)15-9/h15H,2-4H2,1H3 |
| InChIKey | KIDXKDCRSRHERJ-UHFFFAOYSA-N |
| Mol Weight | 251.67 g/mol |
| Molecular Formula | C11H10ClN3O2 |
| Exact Mass | 251.046154 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3Er4iNymOgz |
|---|---|
| Name | |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H10N3O2Cl |
| InChI | InChI=1S/C11H10ClN3O2/c1-17-11(16)9-7(3-2-5-13)8(4-6-14)10(12)15-9/h15H,2-4H2,1H3 |
| InChIKey | KIDXKDCRSRHERJ-UHFFFAOYSA-N |
| Molecular Weight | 251.0460 |
| SMILES | [nH]1c(c(c(c1Cl)CC#N)CCC#N)C(OC)=O |
| SPLASH | splash10-03fr-2980000000-1d805e2c4679b03b9d73 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |