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

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8-Chloro-1,4-bis(dimethylamino-methyl)-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID 3QtQ9UgRoNk
InChI InChI=1S/C22H25ClN6/c1-27(2)13-18-22-26-25-20(14-28(3)4)29(22)19-11-10-16(23)12-17(19)21(24-18)15-8-6-5-7-9-15/h5-12,18H,13-14H2,1-4H3
InChIKey QSGCTMHBAITLSX-UHFFFAOYSA-N
Mol Weight 408.94 g/mol
Molecular Formula C22H25ClN6
Exact Mass 408.182923 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2rHD0wPiggz
Name QSGCTMHBAITLSX-UHFFFAOYSA-N
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25ClN6
InChI InChI=1S/C22H25ClN6/c1-27(2)13-18-22-26-25-20(14-28(3)4)29(22)19-11-10-16(23)12-17(19)21(24-18)15-8-6-5-7-9-15/h5-12,18H,13-14H2,1-4H3
InChIKey QSGCTMHBAITLSX-UHFFFAOYSA-N
Literature Reference Author T.A.SCAHILL,S.L.SMITH
Literature Reference Citation ORG.MAGN.RES.,21,662(1983)
Literature Reference DOI 10.1002/omr.1270211104
Solvent CDCl3;CR(ACAC)3
Source File Reference UWED16531