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4-[(5-methylol-2-thioxo-3H-imidazol-1-yl)methyl]benzonitrile

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4-[(5-methylol-2-thioxo-3H-imidazol-1-yl)methyl]benzonitrile
SpectraBase Compound ID 9gpctBN8aaw
InChI InChI=1S/C12H11N3OS/c13-5-9-1-3-10(4-2-9)7-15-11(8-16)6-14-12(15)17/h1-4,6,16H,7-8H2,(H,14,17)
InChIKey QNFNGGLSMUDJKN-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C12H11N3OS
Exact Mass 245.062283 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZDZqF0XaxC
Name 4-[(5-methylol-2-thioxo-3H-imidazol-1-yl)methyl]benzonitrile
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3OS
InChI InChI=1S/C12H11N3OS/c13-5-9-1-3-10(4-2-9)7-15-11(8-16)6-14-12(15)17/h1-4,6,16H,7-8H2,(H,14,17)
InChIKey QNFNGGLSMUDJKN-UHFFFAOYSA-N
Literature Reference Author ORGANIC_CHEMISTRY_(NMR-DEPARTMENT);UNIVERSITY_MAINZ
Literature Reference Citation UNI_MAINZ,INTERNAL_DB(2010)
Molecular Weight 245.299 g/mol
Source File Reference MHKO26007