| SpectraBase Compound ID | Lg5XLaJbuk8 |
|---|---|
| InChI | InChI=1S/C18H18Cl2S2/c19-17-7-3-15(4-8-17)13-21-11-1-2-12-22-14-16-5-9-18(20)10-6-16/h1-10H,11-14H2/b2-1+ |
| InChIKey | VIBUYNSIGXTYAJ-OWOJBTEDSA-N |
| Mol Weight | 369.37 g/mol |
| Molecular Formula | C18H18Cl2S2 |
| Exact Mass | 368.022698 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D7k3eiK84BN |
|---|---|
| Name | 1,4-bis(p-Chlorobenzylthio)-2-butene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.022698328 u |
| Formula | C18H18Cl2S2 |
| InChI | InChI=1S/C18H18Cl2S2/c19-17-7-3-15(4-8-17)13-21-11-1-2-12-22-14-16-5-9-18(20)10-6-16/h1-10H,11-14H2/b2-1+ |
| InChIKey | VIBUYNSIGXTYAJ-OWOJBTEDSA-N |
| Molecular Weight | 369.368 g/mol |
| SMILES | C=1C(=CC=C(C1)Cl)CSC\C=C\CSCC=1C=CC(=CC1)Cl |