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1-P-Nitrophenyl-5-phenyl-4-tosyl-2-imidazoline
SpectraBase Compound ID H5ICqnTOYHT
InChI InChI=1S/C22H19N3O4S/c1-16-7-13-20(14-8-16)30(28,29)22-21(17-5-3-2-4-6-17)24(15-23-22)18-9-11-19(12-10-18)25(26)27/h2-15,21-22H,1H3
InChIKey CTTFSZWKXNLOSF-UHFFFAOYSA-N
Mol Weight 421.47 g/mol
Molecular Formula C22H19N3O4S
Exact Mass 421.109627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EJCfNpGHUek
Name 1-P-Nitrophenyl-5-phenyl-4-tosyl-2-imidazoline
CAS Registry Number 61278-72-6
Comments SHIFT OF 94.6 PPM REPORTED FOR C2/C3 MUST BE IN ERROR REASSIGNED (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H19N3O4S
InChI InChI=1S/C22H19N3O4S/c1-16-7-13-20(14-8-16)30(28,29)22-21(17-5-3-2-4-6-17)24(15-23-22)18-9-11-19(12-10-18)25(26)27/h2-15,21-22H,1H3
InChIKey CTTFSZWKXNLOSF-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference A.M. Van Leusen, J. Wildeman, O.H. Odenziel, J. Org. Chem. 42, 1153 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3