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1H-Pyrazole-4-propanoic acid, 3,5-dimethyl-
SpectraBase Compound ID 9LEGa7r8m1a
InChI InChI=1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey NKTYLFMWIMKAKT-UHFFFAOYSA-N
Mol Weight 168.2 g/mol
Molecular Formula C8H12N2O2
Exact Mass 168.089878 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44Fi8QlyWSR
Name 1H-Pyrazole-4-propanoic acid, 3,5-dimethyl-
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12N2O2
InChI InChI=1S/C8H12N2O2/c1-5-7(3-4-8(11)12)6(2)10-9-5/h3-4H2,1-2H3,(H,9,10)(H,11,12)
InChIKey NKTYLFMWIMKAKT-UHFFFAOYSA-N
Molecular Weight 168.196 g/mol
SMILES [nH]1nc(c(CCC(O)=O)c1C)C
SPLASH splash10-0a4i-9800000000-2de52f9b6b104f619ea0
Source of Spectrum IY-2-4869-3
Synonyms 3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoic acid
Wiley ID 1656450