For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8GLJ04mCG2S
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
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 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
Melting Point 161-162C
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 3-BUTEN-2-ONE, 4-/HEXAHYDRO- 1H-AZEPIN-1-YL/-3-/1-PHENYL- 1H-TETRAZOL-5-YL/-,