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4-Aminoantipyrine
SpectraBase Compound ID FcuwpHxSd0C
InChI InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
InChIKey RLFWWDJHLFCNIJ-UHFFFAOYSA-N
Mol Weight 203.24 g/mol
Molecular Formula C11H13N3O
Exact Mass 203.105862 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3y3iwYC9BGT
Name 4-Aminoantipyrine
Acquisition Mode SIMULTANEOUS
CAS Registry Number 83-07-8
Comments 100 mM 4-Aminoantipyrine hydrochloride - vendor: Acros 400630250; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz (Data collected by Madison Metabolomics Consortium)
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium
Formula C11H13N3O
IUPAC Name 4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one
InChI InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3
InChIKey RLFWWDJHLFCNIJ-UHFFFAOYSA-N
PubChem Compound ID 2151
SMILES CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N
Source File Reference bmse000147