| SpectraBase Compound ID | BGTq6GZxZvB |
|---|---|
| InChI | InChI=1S/C9H9ClO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | NIOHSOXYJMSVOA-UHFFFAOYSA-N |
| Mol Weight | 168.62 g/mol |
| Molecular Formula | C9H9ClO |
| Exact Mass | 168.034193 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6WKfvLTCCRK |
|---|---|
| Name | 1-Chloro-3-phenylpropan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H9ClO |
| InChI | InChI=1S/C9H9ClO/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | NIOHSOXYJMSVOA-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/adsc.201700833 |
| Molecular Weight | 168.623 g/mol |
| SMILES | C(Cl)C(Cc1ccccc1)=O |
| SPLASH | splash10-0006-9100000000-0ef037f88a70e9c934eb |
| Source of Spectrum | ASC-359-SM22-2a' |
| Wiley ID | 1811578 |