![4-(3-Methyl-6,7-dihydro-5H-[1,4]dithiepin-2-yl)benzonitrile](/api/spectrum/E0giOeQJIpl/structure.png?h=300&w=458 "4-(3-Methyl-6,7-dihydro-5H-[1,4]dithiepin-2-yl)benzonitrile")
| SpectraBase Compound ID | GjIUmW9Tbpy |
|---|---|
| InChI | InChI=1S/C13H13NS2/c1-10-13(16-8-2-7-15-10)12-5-3-11(9-14)4-6-12/h3-6H,2,7-8H2,1H3 |
| InChIKey | WKWDEPHAZBZDRK-UHFFFAOYSA-N |
| Mol Weight | 247.37 g/mol |
| Molecular Formula | C13H13NS2 |
| Exact Mass | 247.048942 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | E0giOeQJIpl |
|---|---|
| Name | 4-(3-Methyl-6,7-dihydro-5H-[1,4]dithiepin-2-yl)benzonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13NS2 |
| InChI | InChI=1S/C13H13NS2/c1-10-13(16-8-2-7-15-10)12-5-3-11(9-14)4-6-12/h3-6H,2,7-8H2,1H3 |
| InChIKey | WKWDEPHAZBZDRK-UHFFFAOYSA-N |
| Molecular Weight | 247.374 g/mol |
| SMILES | C(c1ccc(cc1)C=1SCCCSC1C)#N |
| SPLASH | splash10-0002-0390000000-77831f062cdf80dd8a38 |
| Source of Spectrum | J-66-1898-2 |
| Wiley ID | 1534821 |