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4-(Hexahydro-1H-azepin-1-yl)-3-(1-phenyl-1H-tetrazol-5-yl)-3-buten-2-one

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

4-(Hexahydro-1H-azepin-1-yl)-3-(1-phenyl-1H-tetrazol-5-yl)-3-buten-2-one
SpectraBase Compound ID 8h6VSBme6RT
InChI InChI=1S/C17H21N5O/c1-14(23)16(13-21-11-7-2-3-8-12-21)17-18-19-20-22(17)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3
InChIKey AZDKNXYGOWIQCL-UHFFFAOYSA-N
Mol Weight 311.39 g/mol
Molecular Formula C17H21N5O
Exact Mass 311.17461 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 56Hjzgu3lz7
Name 4-(Hexahydro-1H-azepin-1-yl)-3-(1-phenyl-1H-tetrazol-5-yl)-3-buten-2-one
Source of Sample G. W. Fischer, Academy of Sciences, Leipzig, Germany
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N5O
InChI InChI=1S/C17H21N5O/c1-14(23)16(13-21-11-7-2-3-8-12-21)17-18-19-20-22(17)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3
InChIKey AZDKNXYGOWIQCL-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 161-162C
Solvent CDCl3; Reference=TMS; Temperature 297K