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4,4,4-TRIFLUORO-3-HYDROXY-3-(2-THIOPHENYL)-2-METHYLENEBUTYRONITRILE

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4,4,4-TRIFLUORO-3-HYDROXY-3-(2-THIOPHENYL)-2-METHYLENEBUTYRONITRILE
SpectraBase Compound ID 6TdxyR72Kkd
InChI InChI=1S/C9H6F3NOS/c1-6(5-13)8(14,9(10,11)12)7-3-2-4-15-7/h2-4,14H,1H2
InChIKey MLSSWMLMXWOUCJ-UHFFFAOYSA-N
Mol Weight 233.21 g/mol
Molecular Formula C9H6F3NOS
Exact Mass 233.012219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rozNsSGmb4
Name 4,4,4-TRIFLUORO-3-HYDROXY-3-(2-THIOPHENYL)-2-METHYLENEBUTYRONITRILE
Compound Number 13D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6F3NOS
InChI InChI=1S/C9H6F3NOS/c1-6(5-13)8(14,9(10,11)12)7-3-2-4-15-7/h2-4,14H,1H2
InChIKey MLSSWMLMXWOUCJ-UHFFFAOYSA-N
Literature Reference Author M.V.R.REDDY,M.T.RUDD,P.V.RAMACHANDRAN
Literature Reference Citation J.ORG.CHEM.,67,5382(2002)
Literature Reference DOI 10.1021/jo025591l
Molecular Weight 233.208 g/mol
Solvent CDCl3
Source File Reference UWVN23420