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2-(3,5-dimethyl-1-pyrazolyl)butanedioic acid

View entire compound with spectra: 2 MS (GC)

2-(3,5-dimethyl-1-pyrazolyl)butanedioic acid
SpectraBase Compound ID ALPdjuiVLGM
InChI InChI=1S/C9H12N2O4/c1-5-3-6(2)11(10-5)7(9(14)15)4-8(12)13/h3,7H,4H2,1-2H3,(H,12,13)(H,14,15)
InChIKey HIDNTNUHODANDK-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 D8CdC9HLDnR
Name 2-(3,5-DIMETHYL-1-PYRAZOLYL)SUCCINIC ACID
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H12N2O4
InChI InChI=1S/C9H12N2O4/c1-5-3-6(2)11(10-5)7(9(14)15)4-8(12)13/h3,7H,4H2,1-2H3,(H,12,13)(H,14,15)
InChIKey HIDNTNUHODANDK-UHFFFAOYSA-N
Molecular Weight 212.0794
SMILES OC(C(CC(O)=O)[n]1c(C)cc(C)n1)=O
SPLASH splash10-0006-9000000000-8997cb6ec1e04dfb6662
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany