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2-(1-Acetyl-2-benzimidazolyl)-cis-3-acetoxy-3-methyl-tetrahydro-thiophene
SpectraBase Compound ID 9Y54qVA73ro
InChI InChI=1S/C16H18N2O3S/c1-10(19)18-13-7-5-4-6-12(13)17-15(18)14-16(3,8-9-22-14)21-11(2)20/h4-7,14H,8-9H2,1-3H3
InChIKey WXFAEPMIUSKICS-UHFFFAOYSA-N
Mol Weight 318.39 g/mol
Molecular Formula C16H18N2O3S
Exact Mass 318.103814 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8SYj8rhgFUe
Name 2-(1-Acetyl-2-benzimidazolyl)-cis-3-acetoxy-3-methyl-tetrahydro-thiophene
CAS Registry Number 77087-12-8
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C16H18N2O3S
InChI InChI=1S/C16H18N2O3S/c1-10(19)18-13-7-5-4-6-12(13)17-15(18)14-16(3,8-9-22-14)21-11(2)20/h4-7,14H,8-9H2,1-3H3
InChIKey WXFAEPMIUSKICS-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 CDCl3