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1-METHYL-4-NITRO-5-PROPYL-3-PYRAZOLECARBOXYLIC-ACID
SpectraBase Compound ID LVYYL3avIP3
InChI InChI=1S/C8H11N3O4/c1-3-4-5-7(11(14)15)6(8(12)13)9-10(5)2/h3-4H2,1-2H3,(H,12,13)
InChIKey QBLDBZSMOABVNB-UHFFFAOYSA-N
Mol Weight 213.19 g/mol
Molecular Formula C8H11N3O4
Exact Mass 213.074956 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KOuK9oGoSyP
Name 1-METHYL-4-NITRO-5-PROPYL-3-PYRAZOLECARBOXYLIC-ACID
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11N3O4
InChI InChI=1S/C8H11N3O4/c1-3-4-5-7(11(14)15)6(8(12)13)9-10(5)2/h3-4H2,1-2H3,(H,12,13)
InChIKey QBLDBZSMOABVNB-UHFFFAOYSA-N
Literature Reference Author M.M.EL-ABADELAH,S.S.SABRI,M.A.KHANFAR,H.A.YASIN,W.VOELTER
Literature Reference Citation J.HETCYCL.CHEM.,39,1055(2002)
Literature Reference DOI 10.1002/jhet.5570390532
Molecular Weight 213.193 g/mol
Solvent CDCl3
Source File Reference UWSI20581