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VTMZNPBQSQYGRU-UHFFFAOYSA-N

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VTMZNPBQSQYGRU-UHFFFAOYSA-N
SpectraBase Compound ID 4n22Fn2rrqh
InChI InChI=1S/C13H10ClN3/c14-13-11-7-6-10(8-12(11)16-17-13)15-9-4-2-1-3-5-9/h1-8,15H,(H,16,17)
InChIKey VTMZNPBQSQYGRU-UHFFFAOYSA-N
Mol Weight 243.7 g/mol
Molecular Formula C13H10ClN3
Exact Mass 243.056325 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1csxtEupAp
Name VTMZNPBQSQYGRU-UHFFFAOYSA-N
Compound Number 1A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H10ClN3
InChI InChI=1S/C13H10ClN3/c14-13-11-7-6-10(8-12(11)16-17-13)15-9-4-2-1-3-5-9/h1-8,15H,(H,16,17)
InChIKey VTMZNPBQSQYGRU-UHFFFAOYSA-N
Literature Reference Author G.BOYER,J.P.GALY,R.FAURE,J.BARBE
Literature Reference Citation MAGN.RES.CHEM.,32,537(1994)
Literature Reference DOI 10.1002/mrc.1260320907
Molecular Weight 243.695 g/mol
Solvent DMSO-D6
Source File Reference UWCP815