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LBSYEFPIAPUMFR-UHFFFAOYSA-N
SpectraBase Compound ID 4pFwCJd8vFj
InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-6-2-4-8-14(12)18)13-7-3-5-9-15(13)22(11)16/h2-9H,10H2,1H3
InChIKey LBSYEFPIAPUMFR-UHFFFAOYSA-N
Mol Weight 308.77 g/mol
Molecular Formula C17H13ClN4
Exact Mass 308.082874 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CcGpyJXDxTf
Name 6-(2-Chloro-phenyl)-1-methyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 35628-40-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C17H13ClN4
InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-6-2-4-8-14(12)18)13-7-3-5-9-15(13)22(11)16/h2-9H,10H2,1H3
InChIKey LBSYEFPIAPUMFR-UHFFFAOYSA-N
Instrument Name Varian XL-200
Literature Reference T.A. Scahill, S.L. Smith, Magn. Res. Chem. 23, 280 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3