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8-Chloro-1-methoxy-methyl-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID IdrcYz3Roa2
InChI InChI=1S/C18H15ClN4O/c1-24-11-17-22-21-16-10-20-18(12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)23(16)17/h2-9H,10-11H2,1H3
InChIKey ICBHFKOKXBUCCA-UHFFFAOYSA-N
Mol Weight 338.8 g/mol
Molecular Formula C18H15ClN4O
Exact Mass 338.093439 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cvld9badKcb
Name 8-Chloro-1-methoxy-methyl-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 37952-16-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H15ClN4O
InChI InChI=1S/C18H15ClN4O/c1-24-11-17-22-21-16-10-20-18(12-5-3-2-4-6-12)14-9-13(19)7-8-15(14)23(16)17/h2-9H,10-11H2,1H3
InChIKey ICBHFKOKXBUCCA-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