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(+/-)-1'S*,2'R*)-3-(2'-CHLORO-1'-METHYLPROPYLTHIO)-THIOCHROMONE-1,1-DIOXIDE
SpectraBase Compound ID 67tm3xEdhWQ
InChI InChI=1S/C13H13ClO3S2/c1-8(14)9(2)18-11-7-19(16,17)12-6-4-3-5-10(12)13(11)15/h3-9H,1-2H3/t8-,9+/m1/s1
InChIKey JNADKPZFBBWKKS-BDAKNGLRSA-N
Mol Weight 316.82 g/mol
Molecular Formula C13H13ClO3S2
Exact Mass 315.999464 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AD6kiHHdEBg
Name (+/-)-1'S*,2'R*)-3-(2'-CHLORO-1'-METHYLPROPYLTHIO)-THIOCHROMONE-1,1-DIOXIDE
Compound Number 8B
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Formula C13H13ClO3S2
InChI InChI=1S/C13H13ClO3S2/c1-8(14)9(2)18-11-7-19(16,17)12-6-4-3-5-10(12)13(11)15/h3-9H,1-2H3/t8-,9+/m1/s1
InChIKey JNADKPZFBBWKKS-BDAKNGLRSA-N
Literature Reference Author I.W.J.STILL,D.K.T.WILSON
Literature Reference Citation CAN.J.CHEM.,70,964(1992)
Literature Reference DOI 10.1139/v92-129
Molecular Weight 316.817 g/mol
Solvent CDCl3
Source File Reference UWVP4984