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4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid

View entire compound with spectra: 1 NMR, and 1 MS (GC)

4-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
SpectraBase Compound ID AHSLIpdJMwX
InChI InChI=1S/C15H17N3O4/c1-10-14(16-12(19)8-9-13(20)21)15(22)18(17(10)2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKey STFOYVGOXBPLTJ-UHFFFAOYSA-N
Mol Weight 303.32 g/mol
Molecular Formula C15H17N3O4
Exact Mass 303.121906 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JF9iJ9GwROz
Name 4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.121906035 u
Formula C15H17N3O4
InChI InChI=1S/C15H17N3O4/c1-10-14(16-12(19)8-9-13(20)21)15(22)18(17(10)2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,19)(H,20,21)
InChIKey STFOYVGOXBPLTJ-UHFFFAOYSA-N
Molecular Weight 303.318 g/mol
SMILES C=1C(=CC=CC1)N1N(C(=C(C1=O)NC(=O)CCC(=O)O)C)C