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3,5-DIMETHYL-1-[4-NITRO-3-(1-PROPENYL)-BUTANOYL]-PYRAZOLE
SpectraBase Compound ID GKNopk7fbLL
InChI InChI=1S/C12H17N3O3/c1-4-5-11(8-14(17)18)7-12(16)15-10(3)6-9(2)13-15/h4-6,11H,7-8H2,1-3H3/b5-4+
InChIKey LIVNZNJZMDRWPR-SNAWJCMRSA-N
Mol Weight 251.29 g/mol
Molecular Formula C12H17N3O3
Exact Mass 251.126991 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8920kAWh07c
Name 3,5-DIMETHYL-1-[4-NITRO-3-(1-PROPENYL)-BUTANOYL]-PYRAZOLE
Compound Number 2I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H17N3O3
InChI InChI=1S/C12H17N3O3/c1-4-5-11(8-14(17)18)7-12(16)15-10(3)6-9(2)13-15/h4-6,11H,7-8H2,1-3H3/b5-4+
InChIKey LIVNZNJZMDRWPR-SNAWJCMRSA-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 251.285 g/mol
Sample ID 48357
Solvent CDCl3