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

View entire compound with spectra: 3 NMR

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KDFZ72oLOl
Name 1-Dimethylamino-methyl-8-nitro-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 88170-25-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Varian XL-200
Literature Reference T.A. Scahill, S.L. Smith, Magn. Res. Chem. 23, 280 (1985).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3