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Methyl 4-(4-fluorophenyl)-2-(octanoylamino)-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 4-(4-fluorophenyl)-2-(octanoylamino)-3-thiophenecarboxylate
SpectraBase Compound ID 5sW4qu2mUVL
InChI InChI=1S/C20H24FNO3S/c1-3-4-5-6-7-8-17(23)22-19-18(20(24)25-2)16(13-26-19)14-9-11-15(21)12-10-14/h9-13H,3-8H2,1-2H3,(H,22,23)
InChIKey IMNMKCDMOITKIP-UHFFFAOYSA-N
Mol Weight 377.47 g/mol
Molecular Formula C20H24FNO3S
Exact Mass 377.146093 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 960TOVhY7cX
Name Methyl 4-(4-fluorophenyl)-2-(octanoylamino)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 377.146092971 u
Formula C20H24FNO3S
InChI InChI=1S/C20H24FNO3S/c1-3-4-5-6-7-8-17(23)22-19-18(20(24)25-2)16(13-26-19)14-9-11-15(21)12-10-14/h9-13H,3-8H2,1-2H3,(H,22,23)
InChIKey IMNMKCDMOITKIP-UHFFFAOYSA-N
Molecular Weight 377.474 g/mol
SMILES N(C1=C(C(=CS1)C1=CC=C(C=C1)F)C(=O)OC)C(=O)CCCCCCC