| SpectraBase Compound ID | 7JpYAWaQKyx |
|---|---|
| InChI | InChI=1S/C10H7ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h3-7H,1H2 |
| InChIKey | VHNHNKRYBHXBBT-UHFFFAOYSA-N |
| Mol Weight | 178.62 g/mol |
| Molecular Formula | C10H7ClO |
| Exact Mass | 178.018543 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | DjKxYPOzYVM |
|---|---|
| Name | 1-(4-chlorophenyl)buta-2,3-dien-1-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H7ClO |
| InChI | InChI=1S/C10H7ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h3-7H,1H2 |
| InChIKey | VHNHNKRYBHXBBT-UHFFFAOYSA-N |
| Ionization Type | EI |
| Molecular Weight | 178.618 g/mol |
| Reported Formula | C10H7(35)ClO |
| SMILES | c1cc(ccc1Cl)C(=O)C=C=C |
| SPLASH | splash10-000i-0900000000-d378aac488dd1cb05154 |
| Source of Spectrum | EP2599765B1 |
| Wiley ID | 1845575 |