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Cephalosporin-(P-tolyl-sulfenamide) diphenylmethyl ester

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Cephalosporin-(P-tolyl-sulfenamide) diphenylmethyl ester
SpectraBase Compound ID B5P7V49c3B4
InChI InChI=1S/C30H28N6O3S3/c1-19-13-15-23(16-14-19)42-32-24-27(37)36-25(22(17-40-28(24)36)18-41-30-31-33-34-35(30)2)29(38)39-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,24,26,28,32H,17-18H2,1-2H3
InChIKey XQKMTUTVZAULLI-UHFFFAOYSA-N
Mol Weight 616.77 g/mol
Molecular Formula C30H28N6O3S3
Exact Mass 616.138502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6NoOVvfDrr8
Name Cephalosporin-(P-tolyl-sulfenamide) diphenylmethyl ester
CAS Registry Number 64278-66-6
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H28N6O3S3
InChI InChI=1S/C30H28N6O3S3/c1-19-13-15-23(16-14-19)42-32-24-27(37)36-25(22(17-40-28(24)36)18-41-30-31-33-34-35(30)2)29(38)39-26(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,24,26,28,32H,17-18H2,1-2H3
InChIKey XQKMTUTVZAULLI-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference E.M. Gordon, H.W. Chang, C.M. Cimarusti, J. Am. Chem. Soc. 102, 1690 (1980).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3