John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IdrcYz3Roa2 SpectraBase Spectrum ID=28IaptI9Q3D

(accessed ).
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 28IaptI9Q3D
Name 8-CHLORO-1-METHOXYMETHYL-6-PHENYL-4H-S-TRIAZOLO-[4,3-A]-[1,4]-BENZODIAZEPINE
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author T.A.SCAHILL,S.L.SMITH
Literature Reference Citation MAGN.RES.CHEM.,23,280(1985)
Literature Reference DOI 10.1002/mrc.1260230415
Molecular Weight 338.796 g/mol
Solvent CDCl3
Source File Reference UNIW15236
SpectraBase Batch ID IWjCq2fsi54