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3-(3-(PHENYLTHIO)-FUROXAN-4-YLOXY)-PROPANOL
SpectraBase Compound ID cQ2GHMgT1c
InChI InChI=1S/C11H12N2O4S/c14-7-4-8-16-10-11(13(15)17-12-10)18-9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2
InChIKey AOGRJHPJLKYPKZ-UHFFFAOYSA-N
Mol Weight 268.29 g/mol
Molecular Formula C11H12N2O4S
Exact Mass 268.051778 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JG3UBlUPkWd
Name 3-(3-(PHENYLTHIO)-FUROXAN-4-YLOXY)-PROPANOL
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H12N2O4S
InChI InChI=1S/C11H12N2O4S/c14-7-4-8-16-10-11(13(15)17-12-10)18-9-5-2-1-3-6-9/h1-3,5-6,14H,4,7-8H2
InChIKey AOGRJHPJLKYPKZ-UHFFFAOYSA-N
Literature Reference Author M.L.LOLLI,C.CENA,C.MEDANA,L.LAZZARATO,G.MORINI,G.CORUZZI,S.M ANARINI,R.FRUTTERO,A
Literature Reference Citation J.MED.CHEM.,44,3463(2001)
Literature Reference DOI 10.1021/jm0108799
Molecular Weight 268.287 g/mol
Sample ID 40909
Solvent CDCl3