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3-BENZYL-4-HYDROXY-5-METHYL-2,5-DIHYDRO-2-THIOPHENE
SpectraBase Compound ID 3qZCMBV10yE
InChI InChI=1S/C12H12O2S/c1-8-11(13)10(12(14)15-8)7-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3
InChIKey XIUVOQSHUTVSPD-UHFFFAOYSA-N
Mol Weight 220.29 g/mol
Molecular Formula C12H12O2S
Exact Mass 220.055801 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5IvB1vuBmu0
Name 3-BENZYL-4-HYDROXY-5-METHYL-2,5-DIHYDRO-2-THIOPHENE
Compound Number 6D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12O2S
InChI InChI=1S/C12H12O2S/c1-8-11(13)10(12(14)15-8)7-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3
InChIKey XIUVOQSHUTVSPD-UHFFFAOYSA-N
Literature Reference Author S.M.JONES,J.E.URCH,R.BRUN,J.L.HARWOOD,C.BERRY,I.H.GILBERT
Literature Reference Citation BIOORG.MED.CHEM.,12,683(2004)
Molecular Weight 220.286 g/mol
Solvent ACETONE-D6
Source File Reference UWMB1318