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2,3,5-TRITHIAHEXANE-3,3-DIOXIDE;METHYLTHIO-(METHYLTHIOMETHYL)-SULFONE
SpectraBase Compound ID BqSvnp95RQK
InChI InChI=1S/C3H8O2S3/c1-6-3-8(4,5)7-2/h3H2,1-2H3
InChIKey KBKQSWQEBOBFKC-UHFFFAOYSA-N
Mol Weight 172.28 g/mol
Molecular Formula C3H8O2S3
Exact Mass 171.968643 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8eG1ESsSgdp
Name 2,3,5-TRITHIAHEXANE-3,3-DIOXIDE;METHYLTHIO-(METHYLTHIOMETHYL)-SULFONE
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C3H8O2S3
InChI InChI=1S/C3H8O2S3/c1-6-3-8(4,5)7-2/h3H2,1-2H3
InChIKey KBKQSWQEBOBFKC-UHFFFAOYSA-N
Literature Reference Author J.C.KOUOKAM,J.ZAPP,H.BECKER
Literature Reference Citation PHYTOCHEM.,60,403(2002)
Literature Reference DOI 10.1016/S0031-9422(02)00125-5
Molecular Weight 172.275 g/mol
Solvent CDCl3
Source File Reference UWMS1667