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XDCWBXWCOZEQHN-UHFFFAOYSA-N

View entire compound with spectra: 2 NMR

XDCWBXWCOZEQHN-UHFFFAOYSA-N
SpectraBase Compound ID DTdCWnqc05K
InChI InChI=1S/C6H5IN6O2S/c1-12-3(4-10-11-6(8)16-4)9-2(7)5(12)13(14)15/h1H3,(H2,8,11)
InChIKey XDCWBXWCOZEQHN-UHFFFAOYSA-N
Mol Weight 352.11 g/mol
Molecular Formula C6H5IN6O2S
Exact Mass 351.92394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LmpDWlUjqVN
Name XDCWBXWCOZEQHN-UHFFFAOYSA-N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C6H5IN6O2S
InChI InChI=1S/C6H5IN6O2S/c1-12-3(4-10-11-6(8)16-4)9-2(7)5(12)13(14)15/h1H3,(H2,8,11)
InChIKey XDCWBXWCOZEQHN-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2006)
Molecular Weight 352.109 g/mol
Source File Reference MHKO2839