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3-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-5-METHYLPYRAZOLE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

3-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-5-METHYLPYRAZOLE
SpectraBase Compound ID GXDmrTI988D
InChI InChI=1S/C9H12N2O4/c1-5-6(4-9(14)15)7(11-10-5)2-3-8(12)13/h2-4H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKey SXQZTEAPMWKYMJ-UHFFFAOYSA-N
Mol Weight 212.2 g/mol
Molecular Formula C9H12N2O4
Exact Mass 212.079707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IyXsDrUHaMB
Name 3-(2-CARBOXYETHYL)-4-(CARBOXYMETHYL)-5-METHYLPYRAZOLE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H12N2O4
InChI InChI=1S/C9H12N2O4/c1-5-6(4-9(14)15)7(11-10-5)2-3-8(12)13/h2-4H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChIKey SXQZTEAPMWKYMJ-UHFFFAOYSA-N
Literature Reference Author R.M.LUEOEND,J.WALKER,R.W.NEIER
Literature Reference Citation J.ORG.CHEM.,57,5005(1992)
Literature Reference DOI 10.1021/jo00044a041
Molecular Weight 212.205 g/mol
Solvent DMSO-D6
Source File Reference UWCS1293