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Methyl 4-(4-bromophenyl)-2-(decanoylamino)-3-thiophenecarboxylate

View entire compound with spectra: 2 NMR

Methyl 4-(4-bromophenyl)-2-(decanoylamino)-3-thiophenecarboxylate
SpectraBase Compound ID G0ReRAxqdYs
InChI InChI=1S/C22H28BrNO3S/c1-3-4-5-6-7-8-9-10-19(25)24-21-20(22(26)27-2)18(15-28-21)16-11-13-17(23)14-12-16/h11-15H,3-10H2,1-2H3,(H,24,25)
InChIKey TWSIWLXXGFVNQX-UHFFFAOYSA-N
Mol Weight 466.43 g/mol
Molecular Formula C22H28BrNO3S
Exact Mass 465.097328 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BhOY9mKYIyR
Name Methyl 4-(4-bromophenyl)-2-(decanoylamino)-3-thiophenecarboxylate
Comments Computed using HOSE algorithm
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Exact Mass 465.097327937 u
Formula C22H28BrNO3S
InChI InChI=1S/C22H28BrNO3S/c1-3-4-5-6-7-8-9-10-19(25)24-21-20(22(26)27-2)18(15-28-21)16-11-13-17(23)14-12-16/h11-15H,3-10H2,1-2H3,(H,24,25)
InChIKey TWSIWLXXGFVNQX-UHFFFAOYSA-N
Molecular Weight 466.434 g/mol
SMILES N(C1=C(C(=CS1)C1=CC=C(C=C1)Br)C(=O)OC)C(=O)CCCCCCCCC