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methyl 3-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)propanoate
SpectraBase Compound ID 9HcIXVTjY0Y
InChI InChI=1S/C9H13N3O4/c1-6-9(12(14)15)7(2)11(10-6)5-4-8(13)16-3/h4-5H2,1-3H3
InChIKey QNNZLHWFLKRMPN-UHFFFAOYSA-N
Mol Weight 227.22 g/mol
Molecular Formula C9H13N3O4
Exact Mass 227.090606 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID G92TXSbyhIl
Name METHYL-3-(3,5-DIMETHYL-4-NITRO-1H-PYRAZOL-1-YL)-PROPANOATE
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H13N3O4
InChI InChI=1S/C9H13N3O4/c1-6-9(12(14)15)7(2)11(10-6)5-4-8(13)16-3/h4-5H2,1-3H3
InChIKey QNNZLHWFLKRMPN-UHFFFAOYSA-N
Literature Reference Author S.BONCEL,K.SALETRA,B.HEFCZYC,K.Z.WALCZAK
Literature Reference Citation BEIL.J.ORG.CHEM.,7,173(2011)
Literature Reference DOI 10.3762/bjoc.7.24
Molecular Weight 227.220 g/mol
Solvent DMSO-D6
Source File Reference UWBT9663