| SpectraBase Compound ID | CvS1OIPRt5q |
|---|---|
| InChI | InChI=1S/C12H16S/c1-2-6-11-7-3-4-8-12(11)10-13-9-5-1/h3-4,7-8H,1-2,5-6,9-10H2 |
| InChIKey | WSNPGCQLFNFJAB-UHFFFAOYSA-N |
| Mol Weight | 192.32 g/mol |
| Molecular Formula | C12H16S |
| Exact Mass | 192.097272 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 92eIOsy3XX2 |
|---|---|
| Name | 1,3,4,5,6,7-hexahydro-2-benzothionin |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16S |
| InChI | InChI=1S/C12H16S/c1-2-6-11-7-3-4-8-12(11)10-13-9-5-1/h3-4,7-8H,1-2,5-6,9-10H2 |
| InChIKey | WSNPGCQLFNFJAB-UHFFFAOYSA-N |
| Molecular Weight | 192.320 g/mol |
| SMILES | C1SCCCCCc2c1cccc2 |
| SPLASH | splash10-000f-3900000000-77325a00c99ff6a903dd |
| Source of Spectrum | KC-0-2183-12 |
| Wiley ID | 825913 |