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1-HYDROXY-3-(1,1-DIMETHYL-2-PROPYNOXY)-9H-THIOXANTHEN-9-ONE
SpectraBase Compound ID K5WdsDm8rt9
InChI InChI=1S/C18H14O3S/c1-4-18(2,3)21-11-9-13(19)16-15(10-11)22-14-8-6-5-7-12(14)17(16)20/h1,5-10,19H,2-3H3
InChIKey WOMIUUIZRMHBKO-UHFFFAOYSA-N
Mol Weight 310.37 g/mol
Molecular Formula C18H14O3S
Exact Mass 310.066365 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AYNIKAeVJXQ
Name 1-HYDROXY-3-(1,1-DIMETHYL-2-PROPYNOXY)-9H-THIOXANTHEN-9-ONE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H14O3S
InChI InChI=1S/C18H14O3S/c1-4-18(2,3)21-11-9-13(19)16-15(10-11)22-14-8-6-5-7-12(14)17(16)20/h1,5-10,19H,2-3H3
InChIKey WOMIUUIZRMHBKO-UHFFFAOYSA-N
Literature Reference Author I.K.KOSTAKIS,N.POULI,P.MARAKOS,E.MOKROS,A.L.SKALTSOUNIS,S.LE ONCE,G.ATASSI,P.RENA
Literature Reference Citation BIOORG.MED.CHEM.,9,2973(2001)
Molecular Weight 310.367 g/mol
Solvent CDCl3
Source File Reference UWMS22234