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CISCIS-1,3,4,5-TETRAHYDRO-5-(4-METHOXYPHENYL)-3-METHYL-6-(TRIFLUOROMETHYL)-2H-1-BENZAZEPIN-2-ONE
SpectraBase Compound ID Y7KXnNkspF
InChI InChI=1S/C19H18F3NO2/c1-11-14(12-6-8-13(25-2)9-7-12)10-15-16(19(20,21)22)4-3-5-17(15)23-18(11)24/h3-9,11,14H,10H2,1-2H3,(H,23,24)/t11-,14+/m0/s1
InChIKey SPFHUZPCIOJNBC-SMDDNHRTSA-N
Mol Weight 349.35 g/mol
Molecular Formula C19H18F3NO2
Exact Mass 349.128963 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6GnZ6rn9Nv9
Name CISCIS-1,3,4,5-TETRAHYDRO-5-(4-METHOXYPHENYL)-3-METHYL-6-(TRIFLUOROMETHYL)-2H-1-BENZAZEPIN-2-ONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18F3NO2
InChI InChI=1S/C19H18F3NO2/c1-11-14(12-6-8-13(25-2)9-7-12)10-15-16(19(20,21)22)4-3-5-17(15)23-18(11)24/h3-9,11,14H,10H2,1-2H3,(H,23,24)/t11-,14+/m0/s1
InChIKey SPFHUZPCIOJNBC-SMDDNHRTSA-N
Literature Reference Author J.T.HUNT,M.F.MALLEY,J.Z.GOUGOUTAS
Literature Reference Citation HETEROCYCLES,31,1359(1990)
Literature Reference DOI 10.3987/COM-90-5426
Molecular Weight 349.353 g/mol
Solvent CDCl3
Source File Reference UWCP6215