| SpectraBase Compound ID | FXkEJ87L0u3 |
|---|---|
| InChI | InChI=1S/C10H7ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,1H3 |
| InChIKey | HFASFWYORFMUJK-UHFFFAOYSA-N |
| Mol Weight | 178.62 g/mol |
| Molecular Formula | C10H7ClO |
| Exact Mass | 178.018543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | H3jo19P4bPO |
|---|---|
| Name | Methyl p-chlorophenylethynyl ketone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.018542544 u |
| Formula | C10H7ClO |
| InChI | InChI=1S/C10H7ClO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h4-7H,1H3 |
| InChIKey | HFASFWYORFMUJK-UHFFFAOYSA-N |
| Molecular Weight | 178.618 g/mol |
| SMILES | C(=O)(C)C#CC1=CC=C(C=C1)Cl |