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Methyl 2-[(4-fluorobenzoyl)amino]-4-phenyl-3-thiophenecarboxylate
SpectraBase Compound ID ISOaH76HfJn
InChI InChI=1S/C19H14FNO3S/c1-24-19(23)16-15(12-5-3-2-4-6-12)11-25-18(16)21-17(22)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22)
InChIKey VTJKUXQCMAPRHQ-UHFFFAOYSA-N
Mol Weight 355.38 g/mol
Molecular Formula C19H14FNO3S
Exact Mass 355.067843 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5WnknE3Lgca
Name Methyl 2-[(4-fluorobenzoyl)amino]-4-phenyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 355.067842649 u
Formula C19H14FNO3S
InChI InChI=1S/C19H14FNO3S/c1-24-19(23)16-15(12-5-3-2-4-6-12)11-25-18(16)21-17(22)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22)
InChIKey VTJKUXQCMAPRHQ-UHFFFAOYSA-N
Molecular Weight 355.383 g/mol
SMILES N(C1=C(C(=CS1)C=1C=CC=CC1)C(=O)OC)C(C1=CC=C(C=C1)F)=O