Debug Info

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E4lwfNL1VqO
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E4lwfNL1VqO
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13C NMR
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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4'-Trifluoromethyl-alpha,alpha-difluoro-alpha-(methylthio)-acetophenone
SpectraBase Compound ID 2NBn2tssOU
InChI InChI=1S/C10H7F5OS/c1-17-10(14,15)8(16)6-2-4-7(5-3-6)9(11,12)13/h2-5H,1H3
InChIKey VLRWWXJOWTVSQK-UHFFFAOYSA-N
Mol Weight 270.22 g/mol
Molecular Formula C10H7F5OS
Exact Mass 270.013777 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E4lwfNL1VqO
Name 4'-TRIFLUOROMETHYL-ALPHA,ALPHA-DIFLUORO-ALPHA-(METHYLTHIO)-ACETOPHENONE
Compound Number 3J
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H7F5OS
InChI InChI=1S/C10H7F5OS/c1-17-10(14,15)8(16)6-2-4-7(5-3-6)9(11,12)13/h2-5H,1H3
InChIKey VLRWWXJOWTVSQK-UHFFFAOYSA-N
Literature Reference Author S.TAKEDA,Y.KANEKO,H.ETO,M.TOKIZAWA,S.SATO,K.YOSHIDA,S.NAMIKI ,M.OGAWA
Literature Reference Citation CHEM.PHARM.BULL.,48,1097(2000)
Literature Reference DOI 10.1248/cpb.48.1097
Molecular Weight 270.217 g/mol
Solvent CDCl3
Source File Reference UWVN4439
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