| SpectraBase Compound ID | 4LYZOJSZotc |
|---|---|
| InChI | InChI=1S/C11H12OS2/c12-11-10(13-7-4-8-14-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
| InChIKey | DHQDQGGFLCDOMC-UHFFFAOYSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C11H12OS2 |
| Exact Mass | 224.032957 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H6B5qe8sdYA |
|---|---|
| Name | 1,4-Dithiepan-2-one, 3-phenyl- |
| CAS Registry Number | 70068-10-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C11H12OS2 |
| InChI | InChI=1S/C11H12OS2/c12-11-10(13-7-4-8-14-11)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2 |
| InChIKey | DHQDQGGFLCDOMC-UHFFFAOYSA-N |
| Molecular Weight | 224.336 g/mol |
| SMILES | C1(SCCCSC1c1ccccc1)=O |
| SPLASH | splash10-014i-6900000000-fb6655ed3ff011d0ccfc |
| Synonyms | 3-Phenyl-1,4-dithiepan-2-one |
| Wiley ID | 1488260 |