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3,4-Dihydro-4-oxo-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-phthalazinecarboxylic acid

View entire compound with spectra: 2 NMR, and 1 FTIR

3,4-Dihydro-4-oxo-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-phthalazinecarboxylic acid
SpectraBase Compound ID 4Y0axFgH5f0
InChI InChI=1S/C16H9F3N2O3/c17-16(18,19)9-4-3-5-10(8-9)21-14(22)12-7-2-1-6-11(12)13(20-21)15(23)24/h1-8H,(H,23,24)
InChIKey KEJRCWXHFCFPFG-UHFFFAOYSA-N
Mol Weight 334.25 g/mol
Molecular Formula C16H9F3N2O3
Exact Mass 334.056527 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62kfsILuyFK
Name 3,4-Dihydro-4-oxo-3-(alpha,alpha,alpha-trifluoro-m-tolyl)-1-phthalazinecarboxylic acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.056526644 u
Formula C16H9F3N2O3
InChI InChI=1S/C16H9F3N2O3/c17-16(18,19)9-4-3-5-10(8-9)21-14(22)12-7-2-1-6-11(12)13(20-21)15(23)24/h1-8H,(H,23,24)
InChIKey KEJRCWXHFCFPFG-UHFFFAOYSA-N
Molecular Weight 334.254 g/mol
SMILES OC(C=1C=2C=CC=CC2C(=O)N(N1)C1=CC=CC(=C1)C(F)(F)F)=O