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PMDUNHOOULGNCQ-UHFFFAOYSA-N
SpectraBase Compound ID B92qqfjAF4o
InChI InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3
InChIKey PMDUNHOOULGNCQ-UHFFFAOYSA-N
Mol Weight 275.31 g/mol
Molecular Formula C17H13N3O
Exact Mass 275.105862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gn3PgXg5T
Name 7-Cyano-1,3-dihydro-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one
CAS Registry Number 3489-59-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H13N3O
InChI InChI=1S/C17H13N3O/c1-20-15-8-7-12(10-18)9-14(15)17(19-11-16(20)21)13-5-3-2-4-6-13/h2-9H,11H2,1H3
InChIKey PMDUNHOOULGNCQ-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference H.H. Paul, H. Sapper, W. Lohmann, Org. Magn. Resonance 21, 319 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3