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4-oxo-3-(4-Phenyl-1,3-thiazol-2-yl)phthalazine-1-carboxylic acid

View entire compound with spectra: 1 NMR

4-oxo-3-(4-Phenyl-1,3-thiazol-2-yl)phthalazine-1-carboxylic acid
SpectraBase Compound ID BZOsyM3EoFi
InChI InChI=1S/C18H11N3O3S/c22-16-13-9-5-4-8-12(13)15(17(23)24)20-21(16)18-19-14(10-25-18)11-6-2-1-3-7-11/h1-10H,(H,23,24)
InChIKey AUXSFQZTVUQDRO-UHFFFAOYSA-N
Mol Weight 349.36 g/mol
Molecular Formula C18H11N3O3S
Exact Mass 349.052112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BICa6cxSVoC
Name 4-oxo-3-(4-Phenyl-1,3-thiazol-2-yl)phthalazine-1-carboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 349.052112397 u
Formula C18H11N3O3S
InChI InChI=1S/C18H11N3O3S/c22-16-13-9-5-4-8-12(13)15(17(23)24)20-21(16)18-19-14(10-25-18)11-6-2-1-3-7-11/h1-10H,(H,23,24)
InChIKey AUXSFQZTVUQDRO-UHFFFAOYSA-N
Molecular Weight 349.364 g/mol
SMILES C1=CC=CC=C1C1=CSC(N2C(C3=CC=CC=C3C(C(O)=O)=N2)=O)=N1