| SpectraBase Compound ID | 3VQRA5ZKLFn |
|---|---|
| InChI | InChI=1S/C12H16ClNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,11,14H,3-4H2,1-2H3 |
| InChIKey | OPCMVVKRCLOEDQ-UHFFFAOYSA-N |
| Mol Weight | 225.72 g/mol |
| Molecular Formula | C12H16ClNO |
| Exact Mass | 225.092042 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EUHS5ICcAn |
|---|---|
| Name | 4-chloro Pentedrone |
| Catalog Number | 19383 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16ClNO |
| InChI | InChI=1S/C12H16ClNO/c1-3-4-11(14-2)12(15)9-5-7-10(13)8-6-9/h5-8,11,14H,3-4H2,1-2H3 |
| InChIKey | OPCMVVKRCLOEDQ-UHFFFAOYSA-N |
| Molecular Weight | 225.719 g/mol |
| SMILES | N(C(C(c1ccc(cc1)Cl)=O)CCC)C |
| SPLASH | splash10-000i-9200000000-8779ce8085addd09cf4f |
| Source of Spectrum | CAY-2023-1062-0 |
| Wiley ID | 1889019 |