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8-chloro-N,N-dimethyl-6-(o-fluorophenyl)-4-methoxy-6H-s-triazolo[1,5-a][1,4]benzodiazepine-2-carboxamide
SpectraBase Compound ID TVZMmgADIU
InChI InChI=1S/C20H17ClFN5O2/c1-26(2)20(28)17-24-18-19(29-3)23-16(12-6-4-5-7-14(12)22)13-10-11(21)8-9-15(13)27(18)25-17/h4-10,16H,1-3H3
InChIKey JIUPWVAGXHVHKA-UHFFFAOYSA-N
Mol Weight 413.84 g/mol
Molecular Formula C20H17ClFN5O2
Exact Mass 413.105481 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AGnZDPzgSMa
Name 8-CHLORO-N,N-DIMETHYL-6-(o-FLUOROPHENYL)-4-METHOXY-6H-s-TRIAZOLO[1,5,a][1,4]BENZODIAZEPINE-2-CARBOXAMIDE
Source of Sample R. Hecendorn, Ciba-Geigy AG, Basel, Switzerland
Comments Some carbon atoms are unassigned
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClFN5O2
InChI InChI=1S/C20H17ClFN5O2/c1-26(2)20(28)17-24-18-19(29-3)23-16(12-6-4-5-7-14(12)22)13-10-11(21)8-9-15(13)27(18)25-17/h4-10,16H,1-3H3
InChIKey JIUPWVAGXHVHKA-UHFFFAOYSA-N
Melting Point 225-227C
Molecular Weight 413.84
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms TRIAZOLO/1,5-A//1,4/BENZODIAZEPINE- 2-CARBOXAMIDE, 6H-S-, 8-CHLORO-N,N-DIMETHYL-6-/O-FLUOROPHENYL/-4-METHOXY-,