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1-(hexahydro-1H-azepin-1-yl)-2-(methylthio)-4-(p-nitrobenzylidene)-2-imidazolin-5-one

View entire compound with spectra: 3 NMR, and 1 FTIR

1-(hexahydro-1H-azepin-1-yl)-2-(methylthio)-4-(p-nitrobenzylidene)-2-imidazolin-5-one
SpectraBase Compound ID BYsInR9L0L3
InChI InChI=1S/C17H20N4O3S/c1-25-17-18-15(12-13-6-8-14(9-7-13)21(23)24)16(22)20(17)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3
InChIKey UTHQWFBMFQGONY-UHFFFAOYSA-N
Mol Weight 360.43 g/mol
Molecular Formula C17H20N4O3S
Exact Mass 360.125612 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7PFK0wakbFR
Name 1-(HEXAHYDRO-1H-AZEPIN-1-YL)-2-(METHYLTHIO)-4-(p-NITROBENZYLIDENE)-2-IMIDAZOLIN-5-ONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H20N4O3S
InChI InChI=1S/C17H20N4O3S/c1-25-17-18-15(12-13-6-8-14(9-7-13)21(23)24)16(22)20(17)19-10-4-2-3-5-11-19/h6-9,12H,2-5,10-11H2,1H3
InChIKey UTHQWFBMFQGONY-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 123-125C
Molecular Weight 360.44
Solvent CDCl3; Reference=TMS; Temperature 297K