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1-BENZYL-2-(METHYLTHIO)-5-IMIDAZOL-CARBONITRILE
SpectraBase Compound ID 7K74jn5qXiL
InChI InChI=1S/C12H11N3S/c1-16-12-14-8-11(7-13)15(12)9-10-5-3-2-4-6-10/h2-6,8H,9H2,1H3
InChIKey MEDUGSJBDGHBQD-UHFFFAOYSA-N
Mol Weight 229.3 g/mol
Molecular Formula C12H11N3S
Exact Mass 229.067369 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9IBUBDuCq57
Name 1-BENZYL-2-(METHYLTHIO)-5-IMIDAZOL-CARBONITRILE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H11N3S
InChI InChI=1S/C12H11N3S/c1-16-12-14-8-11(7-13)15(12)9-10-5-3-2-4-6-10/h2-6,8H,9H2,1H3
InChIKey MEDUGSJBDGHBQD-UHFFFAOYSA-N
Literature Reference Author S.TALAB,K.K.TAHA,J.LUGTENBURG
Literature Reference Citation MOLECULES,19,1023(2014)
Literature Reference DOI 10.3390/molecules19011023
Molecular Weight 229.299 g/mol
Solvent DMSO-D6
Source File Reference UWBT14705