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ETHYL-4-(SULFOOXY)-BENZOATE

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ETHYL-4-(SULFOOXY)-BENZOATE
SpectraBase Compound ID 2Q4wDE3j0BX
InChI InChI=1S/C9H10O6S/c1-2-14-9(10)7-3-5-8(6-4-7)15-16(11,12)13/h3-6H,2H2,1H3,(H,11,12,13)
InChIKey LJXYMXIWXRFOHR-UHFFFAOYSA-N
Mol Weight 246.23 g/mol
Molecular Formula C9H10O6S
Exact Mass 246.019809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID dK1IRqVe9n
Name ETHYL-4-(SULFOOXY)-BENZOATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10O6S
InChI InChI=1S/C9H10O6S/c1-2-14-9(10)7-3-5-8(6-4-7)15-16(11,12)13/h3-6H,2H2,1H3,(H,11,12,13)
InChIKey LJXYMXIWXRFOHR-UHFFFAOYSA-N
Literature Reference Author Q.LIU,J.LI,X.CHAI,Y.JIANG,P.TU
Literature Reference Citation J.CHIN.PHARM.SCI.,22,427(2013)
Molecular Weight 246.235 g/mol
Solvent DMSO-D6
Source File Reference UWIR7054