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

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1-Dimethylamino-methyl-8-nitro-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID CK57ng5QYtR
InChI InChI=1S/C19H18N6O2/c1-23(2)12-18-22-21-17-11-20-19(13-6-4-3-5-7-13)15-10-14(25(26)27)8-9-16(15)24(17)18/h3-10H,11-12H2,1-2H3
InChIKey LQXZYQVIANZLKS-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C19H18N6O2
Exact Mass 362.149124 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64qMfq4nnB1
Name LQXZYQVIANZLKS-UHFFFAOYSA-N
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H18N6O2
InChI InChI=1S/C19H18N6O2/c1-23(2)12-18-22-21-17-11-20-19(13-6-4-3-5-7-13)15-10-14(25(26)27)8-9-16(15)24(17)18/h3-10H,11-12H2,1-2H3
InChIKey LQXZYQVIANZLKS-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 UWED16530