![4-(3-Methyl-6,7-dihydro-5H-[1,4]dithiepin-2-yl)benzalhyde](/api/spectrum/H2bc00FiCCY/structure.png?h=300&w=458 "4-(3-Methyl-6,7-dihydro-5H-[1,4]dithiepin-2-yl)benzalhyde")
| SpectraBase Compound ID | LH52mu7PGih |
|---|---|
| InChI | InChI=1S/C13H14OS2/c1-10-13(16-8-2-7-15-10)12-5-3-11(9-14)4-6-12/h3-6,9H,2,7-8H2,1H3 |
| InChIKey | RVWMGHOKKVUVEZ-UHFFFAOYSA-N |
| Mol Weight | 250.37 g/mol |
| Molecular Formula | C13H14OS2 |
| Exact Mass | 250.048607 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | H2bc00FiCCY |
|---|---|
| Name | 4-(3-Methyl-6,7-dihydro-5H-[1,4]dithiepin-2-yl)benzalhyde |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H14OS2 |
| InChI | InChI=1S/C13H14OS2/c1-10-13(16-8-2-7-15-10)12-5-3-11(9-14)4-6-12/h3-6,9H,2,7-8H2,1H3 |
| InChIKey | RVWMGHOKKVUVEZ-UHFFFAOYSA-N |
| Molecular Weight | 250.374 g/mol |
| SMILES | C1(=C(SCCCS1)C)c1ccc(C=O)cc1 |
| SPLASH | splash10-0udi-0590000000-c1aebf5e74095a2942d7 |
| Source of Spectrum | J-66-1898-2 |
| Wiley ID | 1534817 |