For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Methyl 3-tert-butylimino-2-cyano-2-(diphenyl-cyanomethyl)-3-phenyl-thiopropanoate
SpectraBase Compound ID JupKHm9vijF
InChI InChI=1S/C29H27N3O2S/c1-27(2,3)32-25(35-24-18-12-7-13-19-24)29(21-31,26(33)34-4)28(20-30,22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-19H,1-4H3/b32-25-
InChIKey XMOPWVCXNHUQTK-MKCFTUBBSA-N
Mol Weight 481.61 g/mol
Molecular Formula C29H27N3O2S
Exact Mass 481.182398 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1tToI6qvlc7
Name Methyl 3-tert-butylimino-2-cyano-2-(diphenyl-cyanomethyl)-3-phenyl-thiopropanoate
Comments SHIFTS FOR PHENYL AND CYANO ASSIGNED BY S.H.
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C29H27N3O2S
InChI InChI=1S/C29H27N3O2S/c1-27(2,3)32-25(35-24-18-12-7-13-19-24)29(21-31,26(33)34-4)28(20-30,22-14-8-5-9-15-22)23-16-10-6-11-17-23/h5-19H,1-4H3/b32-25-
InChIKey XMOPWVCXNHUQTK-MKCFTUBBSA-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