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9-CHLORO-2-METHYLTHIO-6-NITRO-[1.2.4]-TRIAZOLO-[5.1-B]-QUINAZOLIN-5(3H)-ONE
SpectraBase Compound ID J9GwU2Ra4OH
InChI InChI=1S/C10H6ClN5O3S/c1-20-10-13-9-12-7-4(11)2-3-5(16(18)19)6(7)8(17)15(9)14-10/h2-3H,1H3,(H,12,13,14)
InChIKey XKIFWKWBGISMAK-UHFFFAOYSA-N
Mol Weight 311.7 g/mol
Molecular Formula C10H6ClN5O3S
Exact Mass 310.987988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 23rlqcH8UDV
Name 9-CHLORO-2-METHYLTHIO-6-NITRO-[1.2.4]-TRIAZOLO-[5.1-B]-QUINAZOLIN-5(3H)-ONE
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H6ClN5O3S
InChI InChI=1S/C10H6ClN5O3S/c1-20-10-13-9-12-7-4(11)2-3-5(16(18)19)6(7)8(17)15(9)14-10/h2-3H,1H3,(H,12,13,14)
InChIKey XKIFWKWBGISMAK-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 311.702 g/mol
Solvent DMSO-D6
Source File Reference UWMZ3054