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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 7ixhYQXGE39
Name 2-(3,5-dimethyl-1-pyrazolyl)butanedioic acid
Alternate Name(s) 2-(3,5-Dimethyl-1H-pyrazol-1-yl)succinic acid 2-(3,5-dimethylpyrazol-1-yl)butanedioic acid 2-(3,5-dimethylpyrazol-1-yl)succinic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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 212.205 g/mol
SMILES OC(CC(C(=O)O)[n]1c(cc(n1)C)C)=O
SPLASH splash10-0006-9000000000-a1e7a2a27fa4d9d8aa34
Wiley ID 1468275