| SpectraBase Compound ID | LH7M3x8FiYt |
|---|---|
| InChI | InChI=1S/C14H16O4S3/c15-20(16)8-9-21(17,18)14-10-12(6-7-13(14)20)19-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
| InChIKey | MCEBBJQYUBGRMV-UHFFFAOYSA-N |
| Mol Weight | 344.46 g/mol |
| Molecular Formula | C14H16O4S3 |
| Exact Mass | 344.021073 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6H4LWOxiar |
|---|---|
| Name | 1,2-(ethylenedisulfonyl)-4-(phenylthio)-1-cyclohexene |
| CAS Registry Number | 137569-48-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H16O4S3 |
| InChI | InChI=1S/C14H16O4S3/c15-20(16)8-9-21(17,18)14-10-12(6-7-13(14)20)19-11-4-2-1-3-5-11/h1-5,12H,6-10H2 |
| InChIKey | MCEBBJQYUBGRMV-UHFFFAOYSA-N |
| Molecular Weight | 344.458 g/mol |
| SMILES | C1=2S(CCS(C2CCC(C1)Sc1ccccc1)(=O)=O)(=O)=O |
| SPLASH | splash10-0006-9504000000-3b0ad88c3a5956c5f899 |
| Source of Spectrum | K-125-503-12 |
| Synonyms | 6-(Phenylsulfanyl)-2,3,5,6,7,8-hexahydro-1,4-benzodithiin 1,1,4,4-tetraoxide phenyl 1,1,4,4-tetraoxido-2,3,5,6,7,8-hexahydro-1,4-benzodithiin-6-yl sulfide |
| Wiley ID | 1337579 |