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3-AMINO-N-BENZOYL-1,1,1-TRIFLUOROPROPAN-2-ONE-HYDRATE
SpectraBase Compound ID JAnZoV8C2fE
InChI InChI=1S/C10H10F3NO2/c11-10(12,13)8(15)6-14-9(16)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)/t8-/m0/s1
InChIKey WUARRUTVBZIGFS-QMMMGPOBSA-N
Mol Weight 233.19 g/mol
Molecular Formula C10H10F3NO2
Exact Mass 233.066363 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2YeEF7CDk9D
Name 3-AMINO-N-BENZOYL-1,1,1-TRIFLUOROPROPAN-2-ONE-HYDRATE
Compound Number 19C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H10F3NO2
InChI InChI=1S/C10H10F3NO2/c11-10(12,13)8(15)6-14-9(16)7-4-2-1-3-5-7/h1-5,8,15H,6H2,(H,14,16)/t8-/m0/s1
InChIKey WUARRUTVBZIGFS-QMMMGPOBSA-N
Literature Reference Author M.W.WALTER,R.M.ADLINGTON,J.E.BALDWIN,C.J.SCHOFIELD
Literature Reference Citation J.ORG.CHEM.,63,5179(1998)
Literature Reference DOI 10.1021/jo980443+
Molecular Weight 233.190 g/mol
Sample ID 28569
Solvent CDCl3