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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IrLxAQ9Du80
Name 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 212.205 g/mol
SMILES [nH]1nc(c(CC(=O)O)c1C)CCC(=O)O
SPLASH splash10-00xr-0900000000-9a6d6d7f15dffdc35398
Source of Spectrum J-57-5013-19
Synonyms 3-[4-(carboxymethyl)-5-methyl-1H-pyrazol-3-yl]propionic acid
Wiley ID 1210894