John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=87eVFWnGCRp SpectraBase Spectrum ID=2BmmJ5x8ZRC

(accessed ).
4-BUTYL-3-FLUORO-1-ISOPROPYL-5-PHENYLPYRAZOLE
SpectraBase Compound ID 87eVFWnGCRp
InChI InChI=1S/C16H21FN2/c1-4-5-11-14-15(13-9-7-6-8-10-13)19(12(2)3)18-16(14)17/h6-10,12H,4-5,11H2,1-3H3
InChIKey NARZFAHBCVSNLW-UHFFFAOYSA-N
Mol Weight 260.36 g/mol
Molecular Formula C16H21FN2
Exact Mass 260.168877 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2BmmJ5x8ZRC
Name 4-BUTYL-3-FLUORO-1-ISOPROPYL-5-PHENYLPYRAZOLE
Compound Number 3I
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21FN2
InChI InChI=1S/C16H21FN2/c1-4-5-11-14-15(13-9-7-6-8-10-13)19(12(2)3)18-16(14)17/h6-10,12H,4-5,11H2,1-3H3
InChIKey NARZFAHBCVSNLW-UHFFFAOYSA-N
Literature Reference Author J.ICHIKAWA,M.KOBAYASHI,Y.NODA,N.YOKOTA,K.AMANO,T.MINAMI
Literature Reference Citation J.ORG.CHEM.,61,2763(1996)
Literature Reference DOI 10.1021/jo951814e
Molecular Weight 260.355 g/mol
Solvent CDCl3
Source File Reference UWSP10081
SpectraBase Batch ID BIN5ZtmdsZG