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Methyl 2-[(2-ethoxy-1-naphthoyl)amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
SpectraBase Compound ID KFeObAq4toL
InChI InChI=1S/C26H22FNO4S/c1-4-32-20-14-11-16-7-5-6-8-19(16)22(20)24(29)28-25-23(26(30)31-3)21(15(2)33-25)17-9-12-18(27)13-10-17/h5-14H,4H2,1-3H3,(H,28,29)
InChIKey MSTHATYBJPPIHK-UHFFFAOYSA-N
Mol Weight 463.52 g/mol
Molecular Formula C26H22FNO4S
Exact Mass 463.125358 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LvWcClEeIpQ
Name Methyl 2-[(2-ethoxy-1-naphthoyl)amino]-4-(4-fluorophenyl)-5-methyl-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 463.125357525 u
Formula C26H22FNO4S
InChI InChI=1S/C26H22FNO4S/c1-4-32-20-14-11-16-7-5-6-8-19(16)22(20)24(29)28-25-23(26(30)31-3)21(15(2)33-25)17-9-12-18(27)13-10-17/h5-14H,4H2,1-3H3,(H,28,29)
InChIKey MSTHATYBJPPIHK-UHFFFAOYSA-N
Molecular Weight 463.523 g/mol
SMILES N(C1=C(C(=C(C)S1)C=1C=CC(=CC1)F)C(=O)OC)C(C=1C=2C(=CC=CC2)C=CC1OCC)=O