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

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8-Bromo-1-dimethylamino-methyl-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID 37pHwFTJKte
InChI InChI=1S/C19H18BrN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
InChIKey KZFYOVBBOIVHNC-UHFFFAOYSA-N
Mol Weight 396.29 g/mol
Molecular Formula C19H18BrN5
Exact Mass 395.074559 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D0Pv7JQhaA7
Name KZFYOVBBOIVHNC-UHFFFAOYSA-N
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18BrN5
InChI InChI=1S/C19H18BrN5/c1-24(2)12-18-23-22-17-11-21-19(13-6-4-3-5-7-13)15-10-14(20)8-9-16(15)25(17)18/h3-10H,11-12H2,1-2H3
InChIKey KZFYOVBBOIVHNC-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 UWED16527