| SpectraBase Compound ID | CCwYTtf5lWg |
|---|---|
| InChI | InChI=1S/C9H7ClO2/c10-8-7-4-2-1-3-6(7)5-12-9(8)11/h1-4,8H,5H2 |
| InChIKey | ABBCGEJOFVFMHY-UHFFFAOYSA-N |
| Mol Weight | 182.61 g/mol |
| Molecular Formula | C9H7ClO2 |
| Exact Mass | 182.013457 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5hO6xuhEwNX |
|---|---|
| Name | 4-Chloroisochroman-3-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7ClO2 |
| InChI | InChI=1S/C9H7ClO2/c10-8-7-4-2-1-3-6(7)5-12-9(8)11/h1-4,8H,5H2 |
| InChIKey | ABBCGEJOFVFMHY-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/adsc.201700833 |
| Molecular Weight | 182.606 g/mol |
| SMILES | C1(Cl)C(OCc2c1cccc2)=O |
| SPLASH | splash10-000l-2900000000-f3c72bc13f3495b29fad |
| Source of Spectrum | ASC-359-SM17-2v |
| Wiley ID | 1811599 |