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N-tert-Butyl-N-(1-methylthio-2,3-dicyano-3-benzyl-4-phenyl-1-butenyl)-carbamic acid, methyl ester
SpectraBase Compound ID BrCNzvQObpa
InChI InChI=1S/C26H29N3O2S/c1-25(2,3)29(24(30)31-4)23(32-5)22(18-27)26(19-28,16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15H,16-17H2,1-5H3/b23-22+
InChIKey RMEZSIGMZZFOGJ-GHVJWSGMSA-N
Mol Weight 447.6 g/mol
Molecular Formula C26H29N3O2S
Exact Mass 447.198048 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1cHc0Xn9VU
Name N-tert-Butyl-N-(1-methylthio-2,3-dicyano-3-benzyl-4-phenyl-1-butenyl)-carbamic acid, methyl ester
Comments SHIFTS FOR PHENYL ,CYANO AND C2 ASSIGNED BY S.H.
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C26H29N3O2S
InChI InChI=1S/C26H29N3O2S/c1-25(2,3)29(24(30)31-4)23(32-5)22(18-27)26(19-28,16-20-12-8-6-9-13-20)17-21-14-10-7-11-15-21/h6-15H,16-17H2,1-5H3/b23-22+
InChIKey RMEZSIGMZZFOGJ-GHVJWSGMSA-N
Instrument Name Bruker WP-80
Literature Reference G. Morel, E. Marchand, Tetrahedron 40, 1075 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3