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AFIIKHQFAIXQJB-CMPLNLGQSA-N

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AFIIKHQFAIXQJB-CMPLNLGQSA-N
SpectraBase Compound ID E8QQ7SIPD7C
InChI InChI=1S/C12H16O3S/c1-10-6-5-9-12(15-10)16(13,14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t10-,12+/m0/s1
InChIKey AFIIKHQFAIXQJB-CMPLNLGQSA-N
Mol Weight 240.32 g/mol
Molecular Formula C12H16O3S
Exact Mass 240.082016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CQ51q9IkRjV
Name AFIIKHQFAIXQJB-CMPLNLGQSA-N
Compound Number (+/-)-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16O3S
InChI InChI=1S/C12H16O3S/c1-10-6-5-9-12(15-10)16(13,14)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3/t10-,12+/m0/s1
InChIKey AFIIKHQFAIXQJB-CMPLNLGQSA-N
Literature Reference Author G.CHEN,R.W.FRANCK,G.YANG,M.BLUMENSTEIN
Literature Reference Citation CAN.J.CHEM.,80,894(2002)
Literature Reference DOI 10.1139/v02-095
Molecular Weight 240.317 g/mol
Solvent CDCl3
Source File Reference UWMZ18948