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1-(2-Amino-ethyl)-8-bromo-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine

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1-(2-Amino-ethyl)-8-bromo-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID 4jQTHs407oM
InChI InChI=1S/C18H16BrN5/c19-13-6-7-15-14(10-13)18(12-4-2-1-3-5-12)21-11-17-23-22-16(8-9-20)24(15)17/h1-7,10H,8-9,11,20H2
InChIKey ARAYVTCXPOFLEW-UHFFFAOYSA-N
Mol Weight 382.27 g/mol
Molecular Formula C18H16BrN5
Exact Mass 381.058909 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 915Wl3zkuXs
Name ARAYVTCXPOFLEW-UHFFFAOYSA-N
Compound Number 9
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H16BrN5
InChI InChI=1S/C18H16BrN5/c19-13-6-7-15-14(10-13)18(12-4-2-1-3-5-12)21-11-17-23-22-16(8-9-20)24(15)17/h1-7,10H,8-9,11,20H2
InChIKey ARAYVTCXPOFLEW-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 UWED16526