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2-thiophenecarboxamide, N-[4-[(3-bromobenzoyl)amino]phenyl]-

View entire compound with spectra: 2 NMR

2-thiophenecarboxamide, N-[4-[(3-bromobenzoyl)amino]phenyl]-
SpectraBase Compound ID G8nC14SECIv
InChI InChI=1S/C18H13BrN2O2S/c19-13-4-1-3-12(11-13)17(22)20-14-6-8-15(9-7-14)21-18(23)16-5-2-10-24-16/h1-11H,(H,20,22)(H,21,23)
InChIKey UQFZVSUYDQVMER-UHFFFAOYSA-N
Mol Weight 401.28 g/mol
Molecular Formula C18H13BrN2O2S
Exact Mass 399.988112 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CBIx4VjFFgW
Name 2-Thiophenecarboxamide, N-[4-[(3-bromobenzoyl)amino]phenyl]-
Comments Computed using HOSE algorithm
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Exact Mass 399.988111839 u
Formula C18H13BrN2O2S
InChI InChI=1S/C18H13BrN2O2S/c19-13-4-1-3-12(11-13)17(22)20-14-6-8-15(9-7-14)21-18(23)16-5-2-10-24-16/h1-11H,(H,20,22)(H,21,23)
InChIKey UQFZVSUYDQVMER-UHFFFAOYSA-N
Molecular Weight 401.278 g/mol
SMILES N(C(C=1SC=CC1)=O)C=1C=CC(NC(C=2C=C(Br)C=CC2)=O)=CC1