John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=2GafFSEqCk SpectraBase Spectrum ID=2bG2hBJprMa

(accessed ).
(+/-)-TRANS-3-BROMO-3,4-DIHYDRO-4-HYDROXY-5-METHOXY-2,2-DIMETHYL-2H,6H-PYRAN-[3,2-B]-THIOXANTHEN-6-ONE
SpectraBase Compound ID 2GafFSEqCk
InChI InChI=1S/C19H17BrO4S/c1-19(2)18(20)16(22)13-10(24-19)8-12-14(17(13)23-3)15(21)9-6-4-5-7-11(9)25-12/h4-8,16,18,22H,1-3H3/t16-,18+/m1/s1
InChIKey MEZBVTJORZJOTO-AEFFLSMTSA-N
Mol Weight 421.31 g/mol
Molecular Formula C19H17BrO4S
Exact Mass 420.003092 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2bG2hBJprMa
Name (+/-)-TRANS-3-BROMO-3,4-DIHYDRO-4-HYDROXY-5-METHOXY-2,2-DIMETHYL-2H,6H-PYRAN-[3,2-B]-THIOXANTHEN-6-ONE
Compound Number 13A
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17BrO4S
InChI InChI=1S/C19H17BrO4S/c1-19(2)18(20)16(22)13-10(24-19)8-12-14(17(13)23-3)15(21)9-6-4-5-7-11(9)25-12/h4-8,16,18,22H,1-3H3/t16-,18+/m1/s1
InChIKey MEZBVTJORZJOTO-AEFFLSMTSA-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 421.306 g/mol
Solvent CDCl3
Source File Reference UWMS22244
SpectraBase Batch ID 7w4IzhP0ed8