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Diethyl N-[(3-benzylthiazolidin-2-ylidene)cyanomethyl]bicarbamate

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Diethyl N-[(3-benzylthiazolidin-2-ylidene)cyanomethyl]bicarbamate
SpectraBase Compound ID I8PaKA3qltP
InChI InChI=1S/C18H22N4O4S/c1-3-25-17(23)20-22(18(24)26-4-2)15(12-19)16-21(10-11-27-16)13-14-8-6-5-7-9-14/h5-9H,3-4,10-11,13H2,1-2H3,(H,20,23)/b16-15-
InChIKey DYYXWBLYEYMUDV-NXVVXOECSA-N
Mol Weight 390.46 g/mol
Molecular Formula C18H22N4O4S
Exact Mass 390.136176 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Br7LLZc3OvH
Name DIETHYL-N-[(3-BENZYLTHIAZOLIDIN-2-YLIDENE)-CYANOMETHYL]-BICARBAMATE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H22N4O4S
InChI InChI=1S/C18H22N4O4S/c1-3-25-17(23)20-22(18(24)26-4-2)15(12-19)16-21(10-11-27-16)13-14-8-6-5-7-9-14/h5-9H,3-4,10-11,13H2,1-2H3,(H,20,23)/b16-15-
InChIKey DYYXWBLYEYMUDV-NXVVXOECSA-N
Literature Reference Author C.SZANTAY,I.SZABADKAI,K.HARSABYI,F.TRISCHLER
Literature Reference Citation HETEROCYCLES,45,1081(1997)
Literature Reference DOI 10.3987/COM-97-7753
Molecular Weight 390.457 g/mol
Solvent DMSO-D6
Source File Reference UWCP4595