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4-(4-amino-5-methyl-1H-pyrazol-1-yl)benzoic acid
SpectraBase Compound ID FBq88CLvVQW
InChI InChI=1S/C11H11N3O2/c1-7-10(12)6-13-14(7)9-4-2-8(3-5-9)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChIKey IOMHGYMGXPXYBZ-UHFFFAOYSA-N
Mol Weight 217.23 g/mol
Molecular Formula C11H11N3O2
Exact Mass 217.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlOQGQwW1nw
Name 4-(4-amino-5-methyl-1H-pyrazol-1-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O2
InChI InChI=1S/C11H11N3O2/c1-7-10(12)6-13-14(7)9-4-2-8(3-5-9)11(15)16/h2-6H,12H2,1H3,(H,15,16)
InChIKey IOMHGYMGXPXYBZ-UHFFFAOYSA-N
Molecular Weight 217.228 g/mol
SMILES OC(c1ccc(-[n]2ncc(c2C)N)cc1)=O
SPLASH splash10-00kb-9620000000-83297504cd1eff478c68
Source of Spectrum IY-2-4881-0
Synonyms Benzoic acid, 4-(4-amino-5-methyl-1H-pyrazol-1-yl)- 4-(4-amino-5-methyl-1-pyrazolyl)benzoic acid 4-(4-amino-5-methylpyrazol-1-yl)benzoic acid 4-(4-azanyl-5-methyl-pyrazol-1-yl)benzoic acid
Wiley ID 1656567