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Diethyl N-[(3-benzylthiazolidin-2-ylidene)nitromethyl]bicarbamate
SpectraBase Compound ID 8umhQcxKUC0
InChI InChI=1S/C17H22N4O6S/c1-3-26-16(22)18-20(17(23)27-4-2)14(21(24)25)15-19(10-11-28-15)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,18,22)/b15-14+
InChIKey UVHIRUUZGREYLV-CCEZHUSRSA-N
Mol Weight 410.45 g/mol
Molecular Formula C17H22N4O6S
Exact Mass 410.126006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mWp9xBIsk2
Name DIETHYL-N-[(3-BENZYLTHIAZOLIDIN-2-YLIDENE)-NITROMETHYL]-BICARBAMATE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N4O6S
InChI InChI=1S/C17H22N4O6S/c1-3-26-16(22)18-20(17(23)27-4-2)14(21(24)25)15-19(10-11-28-15)12-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,18,22)/b15-14+
InChIKey UVHIRUUZGREYLV-CCEZHUSRSA-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 410.445 g/mol
Solvent DMSO-D6
Source File Reference UWCP4596