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hexahydro-3-[(3-nitro-2-pyridyl)amino]-2H-azepin-2-one

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

hexahydro-3-[(3-nitro-2-pyridyl)amino]-2H-azepin-2-one
SpectraBase Compound ID FowZe8HWEvz
InChI InChI=1S/C11H14N4O3/c16-11-8(4-1-2-6-13-11)14-10-9(15(17)18)5-3-7-12-10/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,16)
InChIKey SQGDNCIKCHDJGR-UHFFFAOYSA-N
Mol Weight 250.26 g/mol
Molecular Formula C11H14N4O3
Exact Mass 250.10659 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UcYXL5eJUO
Name HEXAHYDRO-3-[(3-NITRO-2-PYRIDYL)AMINO]-2H-AZEPIN-2-ONE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14N4O3
InChI InChI=1S/C11H14N4O3/c16-11-8(4-1-2-6-13-11)14-10-9(15(17)18)5-3-7-12-10/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,16)
InChIKey SQGDNCIKCHDJGR-UHFFFAOYSA-N
Melting Point 195-197C
Molecular Weight 250.26
Solvent Polysol; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 2H-AZEPIN-2-ONE, HEXAHYDRO- 3-//3-NITRO-2-PYRIDYL/AMINO/-,