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7-CHLORO-2-METHYLTHIO-[1.2.4]-TRIAZOLO-[5.1-C]-[1.2.4]-BENZOTRIAZINE_5-OXIDE
SpectraBase Compound ID TWRMzEX9Oj
InChI InChI=1S/C9H6ClN5OS/c1-17-9-11-8-12-15(16)7-4-5(10)2-3-6(7)14(8)13-9/h2-4H,1H3
InChIKey JTNGDWMGWLRMRU-UHFFFAOYSA-N
Mol Weight 267.69 g/mol
Molecular Formula C9H6ClN5OS
Exact Mass 266.998159 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AQg7ARacahg
Name 7-CHLORO-2-METHYLTHIO-[1.2.4]-TRIAZOLO-[5.1-C]-[1.2.4]-BENZOTRIAZINE_5-OXIDE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H6ClN5OS
InChI InChI=1S/C9H6ClN5OS/c1-17-9-11-8-12-15(16)7-4-5(10)2-3-6(7)14(8)13-9/h2-4H,1H3
InChIKey JTNGDWMGWLRMRU-UHFFFAOYSA-N
Literature Reference Author P.TRINKA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,32,1359(1995)
Literature Reference DOI 10.1002/jhet.5570320443
Molecular Weight 267.693 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3020