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3-O-13-CH3_VARACIN_N-TRIFLUOROACETAMIDE

View entire compound with spectra: 1 NMR

3-O-13-CH3_VARACIN_N-TRIFLUOROACETAMIDE
SpectraBase Compound ID GPwoNcZ5bei
InChI InChI=1S/C12H12F3NO3S5/c1-18-7-5-6(3-4-16-11(17)12(13,14)15)9-10(8(7)19-2)21-23-24-22-20-9/h5H,3-4H2,1-2H3,(H,16,17)/i2+1
InChIKey YEEPUBGKTFYBHC-VQEHIDDOSA-N
Mol Weight 436.5 g/mol
Molecular Formula C1113CH12F3NO3S5
Exact Mass 435.940638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AdXIX5OoXs3
Name 3-O-13-CH3_VARACIN_N-TRIFLUOROACETAMIDE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12F3NO3S5
InChI InChI=1S/C12H12F3NO3S5/c1-18-7-5-6(3-4-16-11(17)12(13,14)15)9-10(8(7)19-2)21-23-24-22-20-9/h5H,3-4H2,1-2H3,(H,16,17)/i2+1
InChIKey YEEPUBGKTFYBHC-VQEHIDDOSA-N
Literature Reference Author P.A.SEARLE,T.F.MOLINSKI
Literature Reference Citation J.ORG.CHEM.,59,6600(1994)
Literature Reference DOI 10.1021/jo00101a018
Molecular Weight 435.527 g/mol
Solvent CDCl3
Source File Reference UWMZ2756