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3-[1-(p-bromophenyl)-1H-tetrazol-5-yl]-4-(dimethylamino)-3-buten-2-one
SpectraBase Compound ID EeQnzpwWXDm
InChI InChI=1S/C13H14BrN5O/c1-9(20)12(8-18(2)3)13-15-16-17-19(13)11-6-4-10(14)5-7-11/h4-8H,1-3H3
InChIKey LTJFMDOCTWMNLK-UHFFFAOYSA-N
Mol Weight 336.19 g/mol
Molecular Formula C13H14BrN5O
Exact Mass 335.038173 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JMcw3w7f6mO
Name 3-[1-(p-BROMOPHENYL)-1H-TETRAZOL-5-YL]-4-(DIMETHYLAMINO)-3-BUTEN-2-ONE
Source of Sample G. W. Fischer, Academy of Sciences, Leipzig, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14BrN5O
InChI InChI=1S/C13H14BrN5O/c1-9(20)12(8-18(2)3)13-15-16-17-19(13)11-6-4-10(14)5-7-11/h4-8H,1-3H3
InChIKey LTJFMDOCTWMNLK-UHFFFAOYSA-N
Melting Point 192-193C
Molecular Weight 336.20
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 3-BUTEN-2-ONE, 3-/1-/P-BROMOPHENYL/1H-TETRAZOL-5-YL/-4-/DIMETHYLAMINO/-,