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3,5-DIMETHYL-1-[4-NITRO-3-(3-CYCLOPENTYLOXY-4-METHOXYPHENYL)-BUTANOYL]-PYRAZOLE

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3,5-DIMETHYL-1-[4-NITRO-3-(3-CYCLOPENTYLOXY-4-METHOXYPHENYL)-BUTANOYL]-PYRAZOLE
SpectraBase Compound ID BcOr1Zb5fX8
InChI InChI=1S/C21H27N3O5/c1-14-10-15(2)24(22-14)21(25)12-17(13-23(26)27)16-8-9-19(28-3)20(11-16)29-18-6-4-5-7-18/h8-11,17-18H,4-7,12-13H2,1-3H3/t17-/m1/s1
InChIKey VGQTUAFJISYDSJ-QGZVFWFLSA-N
Mol Weight 401.46 g/mol
Molecular Formula C21H27N3O5
Exact Mass 401.195071 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G02fCBVAnb1
Name 3,5-DIMETHYL-1-[4-NITRO-3-(3-CYCLOPENTYLOXY-4-METHOXYPHENYL)-BUTANOYL]-PYRAZOLE
Compound Number 2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27N3O5
InChI InChI=1S/C21H27N3O5/c1-14-10-15(2)24(22-14)21(25)12-17(13-23(26)27)16-8-9-19(28-3)20(11-16)29-18-6-4-5-7-18/h8-11,17-18H,4-7,12-13H2,1-3H3/t17-/m1/s1
InChIKey VGQTUAFJISYDSJ-QGZVFWFLSA-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 401.462 g/mol
Sample ID 48366
Solvent CDCl3