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3-METHYL-4-(METHYLSULFANYL)-N-PHENYL-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBOXAMIDE
SpectraBase Compound ID 5H0AQCM35rj
InChI InChI=1S/C18H19N3OS/c1-13-12-21(18(22)19-14-8-4-3-5-9-14)16-11-7-6-10-15(16)20-17(13)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)
InChIKey QVYTWGPUIQEHDN-UHFFFAOYSA-N
Mol Weight 325.43 g/mol
Molecular Formula C18H19N3OS
Exact Mass 325.124883 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GNxLYU7u66s
Name 3-METHYL-4-(METHYLSULFANYL)-N-PHENYL-2,3-DIHYDRO-1H-1,5-BENZODIAZEPINE-1-CARBOXAMIDE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H19N3OS
InChI InChI=1S/C18H19N3OS/c1-13-12-21(18(22)19-14-8-4-3-5-9-14)16-11-7-6-10-15(16)20-17(13)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)
InChIKey QVYTWGPUIQEHDN-UHFFFAOYSA-N
Literature Reference Author L.KOSYCHOVA,A.KARALIUS,Z.STANIULYTE,R.A.SIRUTKAITIS,A.PALAIM A,A.LAURYNENAS,Z.ANU
Literature Reference Citation MOLECULES,20,5392(2015)
Literature Reference DOI 10.3390/molecules20045392
Molecular Weight 325.428 g/mol
Solvent CDCl3
Source File Reference UWPA3043