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3-(1-METHOXYCARBONYL-1-TRIFLUOROMETHYL-2,2-DICYANOETHYL)-2-METHYLINDOLE
SpectraBase Compound ID Ec1dy4XC5jj
InChI InChI=1S/C16H12F3N3O2/c1-9-13(11-5-3-4-6-12(11)22-9)15(14(23)24-2,16(17,18)19)10(7-20)8-21/h3-6,10,22H,1-2H3
InChIKey JWRWDCCJFDJABO-UHFFFAOYSA-N
Mol Weight 335.29 g/mol
Molecular Formula C16H12F3N3O2
Exact Mass 335.088161 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L6YcSI96uPT
Name 3-(1-METHOXYCARBONYL-1-TRIFLUOROMETHYL-2,2-DICYANOETHYL)-2-METHYLINDOLE
Comments ;W
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H12F3N3O2
InChI InChI=1S/C16H12F3N3O2/c1-9-13(11-5-3-4-6-12(11)22-9)15(14(23)24-2,16(17,18)19)10(7-20)8-21/h3-6,10,22H,1-2H3
InChIKey JWRWDCCJFDJABO-UHFFFAOYSA-N
Instrument Name SEE COMMENT
Literature Reference N.D.CHKANNIKOV, K.V.KOMAROV, V.YU.TYUTIN, A.F.KOLOMIETS, A.V.FOKIN (1991)Izv.Akad.Nauk SSSR(Russ. Lang.): N5, 1193-1195.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C2D6SO dimethylsulfo