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1-[3-(TERT.-BUTYL)-4-NITROBUTANOYL]-3,5-DIMETHYLPYRAZOLE

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1-[3-(TERT.-BUTYL)-4-NITROBUTANOYL]-3,5-DIMETHYLPYRAZOLE
SpectraBase Compound ID 9aaspUGAaVN
InChI InChI=1S/C13H21N3O3/c1-9-6-10(2)16(14-9)12(17)7-11(8-15(18)19)13(3,4)5/h6,11H,7-8H2,1-5H3
InChIKey WCZDMVOZYQEGTA-UHFFFAOYSA-N
Mol Weight 267.33 g/mol
Molecular Formula C13H21N3O3
Exact Mass 267.158292 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ERSaluDdw
Name 1-[3-(TERT.-BUTYL)-4-NITROBUTANOYL]-3,5-DIMETHYLPYRAZOLE
Compound Number 2H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H21N3O3
InChI InChI=1S/C13H21N3O3/c1-9-6-10(2)16(14-9)12(17)7-11(8-15(18)19)13(3,4)5/h6,11H,7-8H2,1-5H3
InChIKey WCZDMVOZYQEGTA-UHFFFAOYSA-N
Literature Reference Author K.ITOH,S.KANEMASA
Literature Reference Citation J.AM.CHEM.SOC.,124,13394(2002)
Literature Reference DOI 10.1021/ja027313+
Molecular Weight 267.328 g/mol
Sample ID 48356
Solvent CDCl3