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3,5-DIMETHYL-1-(4-NITRO-3-PROPYLBUTANOYL)-PYRAZOLE

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3,5-DIMETHYL-1-(4-NITRO-3-PROPYLBUTANOYL)-PYRAZOLE
SpectraBase Compound ID 9GoOOkfqtq5
InChI InChI=1S/C12H19N3O3/c1-4-5-11(8-14(17)18)7-12(16)15-10(3)6-9(2)13-15/h6,11H,4-5,7-8H2,1-3H3
InChIKey AZFDYIVEOWEUIW-UHFFFAOYSA-N
Mol Weight 253.3 g/mol
Molecular Formula C12H19N3O3
Exact Mass 253.142641 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1r1tvCbouok
Name 3,5-DIMETHYL-1-(4-NITRO-3-PROPYLBUTANOYL)-PYRAZOLE
Compound Number 2E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H19N3O3
InChI InChI=1S/C12H19N3O3/c1-4-5-11(8-14(17)18)7-12(16)15-10(3)6-9(2)13-15/h6,11H,4-5,7-8H2,1-3H3
InChIKey AZFDYIVEOWEUIW-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 253.301 g/mol
Sample ID 48354
Solvent CDCl3