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4-(dimethylamino)-3-[1-(p-fluorophenyl)-1H-tetrazol-5-yl]-3-buten-2-one
SpectraBase Compound ID 83gbh9tA5Z9
InChI InChI=1S/C13H14FN5O/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 UBYYMJQOUAGTQT-UHFFFAOYSA-N
Mol Weight 275.29 g/mol
Molecular Formula C13H14FN5O
Exact Mass 275.118238 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kalk7MKms4e
Name 4-(DIMETHYLAMINO)-3-[1-(p-FLUOROPHENYL)-1H-TETRAZOL-5-YL]-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 C13H14FN5O
InChI InChI=1S/C13H14FN5O/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 UBYYMJQOUAGTQT-UHFFFAOYSA-N
Melting Point 153-154C
Molecular Weight 275.29
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms 3-BUTEN-2-ONE, 4-/DIMETHYLAMINO/- 3-/1-/P-FLUOROPHENYL/-1H-TETRAZOL- 5-YL/-,