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8-Chloro-1-methoxy-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine

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8-Chloro-1-methoxy-6-phenyl-4H-S-triazolo(4,3-A)(1,4)benzodiazepine
SpectraBase Compound ID 7unJm6Msme6
InChI InChI=1S/C17H13ClN4O/c1-23-17-21-20-15-10-19-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(15)17/h2-9H,10H2,1H3
InChIKey YUOQRJNUOYAPPV-UHFFFAOYSA-N
Mol Weight 324.77 g/mol
Molecular Formula C17H13ClN4O
Exact Mass 324.077789 g/mol

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

15N Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1klZHM4M6ja
Name YUOQRJNUOYAPPV-UHFFFAOYSA-N
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H13ClN4O
InChI InChI=1S/C17H13ClN4O/c1-23-17-21-20-15-10-19-16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)22(15)17/h2-9H,10H2,1H3
InChIKey YUOQRJNUOYAPPV-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 UWED16537