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XSRMJLOWPLEZPX-UHFFFAOYSA-N
SpectraBase Compound ID 6QI2I3KnV4h
InChI InChI=1S/C14H9N3S/c1-2-5-11-10(4-1)6-7-12-13(11)16-14(18-12)17-9-3-8-15-17/h1-9H
InChIKey XSRMJLOWPLEZPX-UHFFFAOYSA-N
Mol Weight 251.31 g/mol
Molecular Formula C14H9N3S
Exact Mass 251.051718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6Z6nw3T7iuA
Name XSRMJLOWPLEZPX-UHFFFAOYSA-N
Compound Number 1057
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H9N3S
InChI InChI=1S/C14H9N3S/c1-2-5-11-10(4-1)6-7-12-13(11)16-14(18-12)17-9-3-8-15-17/h1-9H
InChIKey XSRMJLOWPLEZPX-UHFFFAOYSA-N
Literature Reference Author M.BEGTRUP,G.BOYER,P.CABILDO,C.CATIVIELA,R.M.CLARAMUNT,J.ELGU ERO,J.I.GARCIA,C.TOI
Literature Reference Citation MAGN.RES.CHEM.,31,107(1993)
Literature Reference DOI 10.1002/mrc.1260310202
Molecular Weight 251.306 g/mol
Solvent CDCl3
Source File Reference UWVP1158