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8-Chloro-1-morpholino-4-methyl-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine

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8-Chloro-1-morpholino-4-methyl-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID JHlna283xpA
InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(26-9-11-28-12-10-26)27(20)18-8-7-16(22)13-17(18)19(23-14)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKey MEYCNNIMDYLHMV-UHFFFAOYSA-N
Mol Weight 393.88 g/mol
Molecular Formula C21H20ClN5O
Exact Mass 393.135638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LYrDxoza2jY
Name 8-Chloro-1-morpholino-4-methyl-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 71368-63-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H20ClN5O
InChI InChI=1S/C21H20ClN5O/c1-14-20-24-25-21(26-9-11-28-12-10-26)27(20)18-8-7-16(22)13-17(18)19(23-14)15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3
InChIKey MEYCNNIMDYLHMV-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