John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=4vbYG3pqzc3 SpectraBase Spectrum ID=1k75ytuN74c

(accessed ).
(4-R)-4-CYANOMETHYL-5,5-DIMETHYL-1-[(1-R,S)-1-TRIFLUOROACETOXYETHYL]-CYCLOPENTENE;MIXTURE_OF_ISOMERS
SpectraBase Compound ID 4vbYG3pqzc3
InChI InChI=1S/2C13H16F3NO2/c2*1-8(19-11(18)13(14,15)16)10-5-4-9(6-7-17)12(10,2)3/h2*5,8-9H,4,6H2,1-3H3/t2*8-,9-/m00/s1
InChIKey JVPFTACOBSJOMG-FFNHTDCDSA-N
Mol Weight 550.54 g/mol
Molecular Formula C26H32F6N2O4
Exact Mass 550.226627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1k75ytuN74c
Name (4-R)-4-CYANOMETHYL-5,5-DIMETHYL-1-[(1-R,S)-1-TRIFLUOROACETOXYETHYL]-CYCLOPENTENE;MIXTURE_OF_ISOMERS
Compound Number VIII
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32F6N2O4
InChI InChI=1S/2C13H16F3NO2/c2*1-8(19-11(18)13(14,15)16)10-5-4-9(6-7-17)12(10,2)3/h2*5,8-9H,4,6H2,1-3H3/t2*8-,9-/m00/s1
InChIKey JVPFTACOBSJOMG-FFNHTDCDSA-N
Literature Reference Author N.S.VOSTRIKOV,A.V.ABUTKOV,V.Z.VASIKOV,M.S.MIFTAKHOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,650(2003)
Literature Reference DOI 10.1023/A:1026048910542
Molecular Weight 550.541 g/mol
Solvent CDCl3
Source File Reference UWMZ21726
SpectraBase Batch ID 4SEqE9zmtvm