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Lumiracoxib ME
SpectraBase Compound ID 3MlpVq6XK7D
InChI InChI=1S/C16H15ClFNO2/c1-10-6-7-14(11(8-10)9-15(20)21-2)19-16-12(17)4-3-5-13(16)18/h3-8,19H,9H2,1-2H3
InChIKey BNJMNPAGWDEJDJ-UHFFFAOYSA-N
Mol Weight 307.75 g/mol
Molecular Formula C16H15ClFNO2
Exact Mass 307.077535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DkImsETzt68
Name Lumiracoxib ME
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 307.077534588 u
Formula C16H15ClFNO2
InChI InChI=1S/C16H15ClFNO2/c1-10-6-7-14(11(8-10)9-15(20)21-2)19-16-12(17)4-3-5-13(16)18/h3-8,19H,9H2,1-2H3
InChIKey BNJMNPAGWDEJDJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 307.752 g/mol
Nominal Mass 307 u
Quality 923
Retention Index 2310
SMILES C=1(NC=2C(=CC=CC2F)Cl)C(=CC(=CC1)C)CC(OC)=O
SPLASH splash10-03di-1392000000-017e0aae62370ccb3809
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms methyl (2-((2-chloro-6-fluorophenyl)amino)-5-methylphenyl)acetate
Technique GC/MS
Wiley ID DD2024_007797