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KRVFVELSHITDJN-UHFFFAOYSA-N
SpectraBase Compound ID Kp6uyWfiQs1
InChI InChI=1S/C18H16ClN5/c19-14-7-3-1-5-12(14)18-13-6-2-4-8-15(13)24-16(9-10-20)22-23-17(24)11-21-18/h1-8H,9-11,20H2
InChIKey KRVFVELSHITDJN-UHFFFAOYSA-N
Mol Weight 337.81 g/mol
Molecular Formula C18H16ClN5
Exact Mass 337.109423 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DzlOnsBGkdX
Name 1-(2-Amino-ethyl)-6-(2-chloro-phenyl)-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
CAS Registry Number 72874-60-3
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H16ClN5
InChI InChI=1S/C18H16ClN5/c19-14-7-3-1-5-12(14)18-13-6-2-4-8-15(13)24-16(9-10-20)22-23-17(24)11-21-18/h1-8H,9-11,20H2
InChIKey KRVFVELSHITDJN-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