| 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 | 8bM2C9Uqhk3 |
|---|---|
| Name | 1,4-DITHIEPAN-2-ONE, 3-PHENYL- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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 | 224.0327 |
| SMILES | C1(c2ccccc2)SCCCSC1=O |
| SPLASH | splash10-014i-6900000000-051e599eb90fe2cf7a19 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |