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8-Chloro-1-(dimethylamino-methyl)-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine N-1-oxide
SpectraBase Compound ID EWPwA48G3j8
InChI InChI=1S/C19H18ClN5O/c1-25(2,26)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)24(17)18/h3-10H,11-12H2,1-2H3
InChIKey ITNFSBPMZVUZEZ-UHFFFAOYSA-N
Mol Weight 367.84 g/mol
Molecular Formula C19H18ClN5O
Exact Mass 367.119988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ant9Dgd3Jp9
Name 8-Chloro-1-(dimethylamino-methyl)-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine N-1-oxide
CAS Registry Number 64449-10-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C19H18ClN5O
InChI InChI=1S/C19H18ClN5O/c1-25(2,26)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)24(17)18/h3-10H,11-12H2,1-2H3
InChIKey ITNFSBPMZVUZEZ-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