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WQMMRBXNYTXWQZ-BETPOXICSA-L

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WQMMRBXNYTXWQZ-BETPOXICSA-L
SpectraBase Compound ID IDrP33CZuhB
InChI InChI=1S/C14H14S7.2ClH.Hg/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15-1;;;/h1-14H;2*1H;/q;;;+2/p-2/b2-1-,4-3-,6-5-,8-7-,10-9-,12-11-,14-13-;;;
InChIKey WQMMRBXNYTXWQZ-BETPOXICSA-L
Mol Weight 678.18 g/mol
Molecular Formula C14H14Cl2HgS7
Exact Mass 677.822398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bk1shbK4sjQ
Name WQMMRBXNYTXWQZ-BETPOXICSA-L
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H14Cl2HgS7
InChI InChI=1S/C14H14S7.2ClH.Hg/c1-2-16-5-6-18-9-10-20-13-14-21-12-11-19-8-7-17-4-3-15-1;;;/h1-14H;2*1H;/q;;;+2/p-2/b2-1-,4-3-,6-5-,8-7-,10-9-,12-11-,14-13-;;;
InChIKey WQMMRBXNYTXWQZ-BETPOXICSA-L
Literature Reference Author T.TSUCHIYA,T.SHIMIZU,K.HIRABAYASHI,N.KAMIGATA
Literature Reference Citation J.ORG.CHEM.,68,3480(2003)
Literature Reference DOI 10.1021/jo020668r
Molecular Weight 678.181 g/mol
Solvent DMSO-D6
Source File Reference UWMS26369