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Methyl 2-[(2-ethoxy-1-naphthoyl)amino]-4-(4-isopropylphenyl)-3-thiophenecarboxylate
SpectraBase Compound ID FqM6CzfVqPD
InChI InChI=1S/C28H27NO4S/c1-5-33-23-15-14-19-8-6-7-9-21(19)24(23)26(30)29-27-25(28(31)32-4)22(16-34-27)20-12-10-18(11-13-20)17(2)3/h6-17H,5H2,1-4H3,(H,29,30)
InChIKey ZGBXSLLJSSZWOL-UHFFFAOYSA-N
Mol Weight 473.59 g/mol
Molecular Formula C28H27NO4S
Exact Mass 473.16608 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5RKt15fatq9
Name Methyl 2-[(2-ethoxy-1-naphthoyl)amino]-4-(4-isopropylphenyl)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 473.166079523 u
Formula C28H27NO4S
InChI InChI=1S/C28H27NO4S/c1-5-33-23-15-14-19-8-6-7-9-21(19)24(23)26(30)29-27-25(28(31)32-4)22(16-34-27)20-12-10-18(11-13-20)17(2)3/h6-17H,5H2,1-4H3,(H,29,30)
InChIKey ZGBXSLLJSSZWOL-UHFFFAOYSA-N
Molecular Weight 473.587 g/mol
SMILES N(C1=C(C(=CS1)C1=CC=C(C=C1)C(C)C)C(=O)OC)C(C=1C=2C(=CC=CC2)C=CC1OCC)=O