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2-[4-(TRIFLUOROMETHYL)-PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBONITRILE

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2-[4-(TRIFLUOROMETHYL)-PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBONITRILE
SpectraBase Compound ID 9YSfb8AfCVJ
InChI InChI=1S/C17H13F3N2/c18-17(19,20)13-5-7-14(8-6-13)22-10-9-12-3-1-2-4-15(12)16(22)11-21/h1-8,16H,9-10H2
InChIKey FQRTXBLZJAQEPT-UHFFFAOYSA-N
Mol Weight 302.3 g/mol
Molecular Formula C17H13F3N2
Exact Mass 302.103083 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CbPTRkcWnm9
Name 2-[4-(TRIFLUOROMETHYL)-PHENYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-1-CARBONITRILE
Compound Number 15
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13F3N2
InChI InChI=1S/C17H13F3N2/c18-17(19,20)13-5-7-14(8-6-13)22-10-9-12-3-1-2-4-15(12)16(22)11-21/h1-8,16H,9-10H2
InChIKey FQRTXBLZJAQEPT-UHFFFAOYSA-N
Literature Reference Author R.YANG,Q.RUAN,B.Y.ZHANG,Z.L.ZHENG,F.MIAO,L.ZHOU,H.L.GENG
Literature Reference Citation MOLECULES,19,8051(2014)
Literature Reference DOI 10.3390/molecules19068051
Molecular Weight 302.299 g/mol
Solvent CDCl3
Source File Reference UWIR14787