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TRANS-2-(2-BENZOIMIDAZOLYL)-3-HYDROXY-3-METHYL-5-PHENYL-2,3-DIHYDRO-THIOPHENE

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TRANS-2-(2-BENZOIMIDAZOLYL)-3-HYDROXY-3-METHYL-5-PHENYL-2,3-DIHYDRO-THIOPHENE
SpectraBase Compound ID AzMvSmhJDWQ
InChI InChI=1S/C18H16N2OS/c1-18(21)11-15(12-7-3-2-4-8-12)22-16(18)17-19-13-9-5-6-10-14(13)20-17/h2-11,16,21H,1H3,(H,19,20)
InChIKey PXXCTIVOASGLMW-UHFFFAOYSA-N
Mol Weight 308.4 g/mol
Molecular Formula C18H16N2OS
Exact Mass 308.098334 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5ZVUtKPk59E
Name 2-(2-Benzimidazolyl)-5-phenyl-3-methyl-cis-3-hydroxy-2,3-dihydro-thiophene
CAS Registry Number 77087-10-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C18H16N2OS
InChI InChI=1S/C18H16N2OS/c1-18(21)11-15(12-7-3-2-4-8-12)22-16(18)17-19-13-9-5-6-10-14(13)20-17/h2-11,16,21H,1H3,(H,19,20)
InChIKey PXXCTIVOASGLMW-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference P. Sohar, G. Manyai, K. Mideg, Org. Magn. Resonance 14, 125 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6