| SpectraBase Compound ID | COq0uanj91l |
|---|---|
| InChI | InChI=1S/C7H13ClOS/c1-6(2)5-10-7(3-8)4-9/h4,6-7H,3,5H2,1-2H3 |
| InChIKey | PUPVWILCNAIRMO-UHFFFAOYSA-N |
| Mol Weight | 180.69 g/mol |
| Molecular Formula | C7H13ClOS |
| Exact Mass | 180.037564 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2tWuXySZvXO |
|---|---|
| Name | 3-Chloro-2-(isobutylthio)propanal |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H13ClOS |
| InChI | InChI=1S/C7H13ClOS/c1-6(2)5-10-7(3-8)4-9/h4,6-7H,3,5H2,1-2H3 |
| InChIKey | PUPVWILCNAIRMO-UHFFFAOYSA-N |
| Molecular Weight | 180.693 g/mol |
| SMILES | C(C(CCl)SCC(C)C)=O |
| SPLASH | splash10-0a4i-9100000000-07ab140b1455a3ef0c09 |
| Source of Spectrum | SO-0-884-1 |
| Synonyms | 3-Chloro-2-(isobutylsulfanyl)propanal |
| Wiley ID | 1541666 |