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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 2qVtzDgFhOG
Name 1-(2-AMINOETHYL)-6-(ORTHO-CHLOROPHENYL)-4H-S-TRIAZOLO-[4,3-A]-[1,4]-BENZODIAZEPINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. 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
Literature Reference Author T.A.SCAHILL,S.L.SMITH
Literature Reference Citation MAGN.RES.CHEM.,23,280(1985)
Literature Reference DOI 10.1002/mrc.1260230415
Molecular Weight 337.812 g/mol
Solvent CDCl3
Source File Reference UNIW15230