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Propyl 4-(4-fluorophenyl)-2-{[4-(pentyloxy)benzoyl]amino}-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Propyl 4-(4-fluorophenyl)-2-{[4-(pentyloxy)benzoyl]amino}-3-thiophenecarboxylate
SpectraBase Compound ID BV4W4R2Ftbt
InChI InChI=1S/C26H28FNO4S/c1-3-5-6-16-31-21-13-9-19(10-14-21)24(29)28-25-23(26(30)32-15-4-2)22(17-33-25)18-7-11-20(27)12-8-18/h7-14,17H,3-6,15-16H2,1-2H3,(H,28,29)
InChIKey ZADGTSLVMRHZEC-UHFFFAOYSA-N
Mol Weight 469.57 g/mol
Molecular Formula C26H28FNO4S
Exact Mass 469.172308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3MMl5l4MT4T
Name Propyl 4-(4-fluorophenyl)-2-{[4-(pentyloxy)benzoyl]amino}-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 469.172307719 u
Formula C26H28FNO4S
InChI InChI=1S/C26H28FNO4S/c1-3-5-6-16-31-21-13-9-19(10-14-21)24(29)28-25-23(26(30)32-15-4-2)22(17-33-25)18-7-11-20(27)12-8-18/h7-14,17H,3-6,15-16H2,1-2H3,(H,28,29)
InChIKey ZADGTSLVMRHZEC-UHFFFAOYSA-N
Molecular Weight 469.571 g/mol
SMILES N(C1=C(C(C2=CC=C(C=C2)F)=CS1)C(=O)OCCC)C(C1=CC=C(C=C1)OCCCCC)=O