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1-(hexahydro-1H-azepin-1-yl)-3-(5-nitro-3-thenoyl)urea

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

1-(hexahydro-1H-azepin-1-yl)-3-(5-nitro-3-thenoyl)urea
SpectraBase Compound ID 9qcyw6HJAlR
InChI InChI=1S/C12H16N4O4S/c17-11(9-7-10(16(19)20)21-8-9)13-12(18)14-15-5-3-1-2-4-6-15/h7-8H,1-6H2,(H2,13,14,17,18)
InChIKey VOWRYXVNCWFEPU-UHFFFAOYSA-N
Mol Weight 312.34 g/mol
Molecular Formula C12H16N4O4S
Exact Mass 312.089226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID lprNfGiEb5
Name 1-(HEXAHYDRO-1H-AZEPIN-1-YL)-3-(5-NITRO-3-THENOYL)UREA
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16N4O4S
InChI InChI=1S/C12H16N4O4S/c17-11(9-7-10(16(19)20)21-8-9)13-12(18)14-15-5-3-1-2-4-6-15/h7-8H,1-6H2,(H2,13,14,17,18)
InChIKey VOWRYXVNCWFEPU-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 211-214C (dec.)
Molecular Weight 312.35
Solvent DMSO-d6; Reference=TMS; Temperature 297K