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2H-1-benzopyran-2-one, 6-bromo-3-[2-(phenylamino)-4-thiazolyl]-
SpectraBase Compound ID 4pDyX22VLgl
InChI InChI=1S/C18H11BrN2O2S/c19-12-6-7-16-11(8-12)9-14(17(22)23-16)15-10-24-18(21-15)20-13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChIKey MILICDGRCSVLPU-UHFFFAOYSA-N
Mol Weight 399.26 g/mol
Molecular Formula C18H11BrN2O2S
Exact Mass 397.972462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HvSqlDhHg8L
Name 2H-1-Benzopyran-2-one, 6-bromo-3-[2-(phenylamino)-4-thiazolyl]-
Comments Computed using HOSE algorithm
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Exact Mass 397.972461774 u
Formula C18H11BrN2O2S
InChI InChI=1S/C18H11BrN2O2S/c19-12-6-7-16-11(8-12)9-14(17(22)23-16)15-10-24-18(21-15)20-13-4-2-1-3-5-13/h1-10H,(H,20,21)
InChIKey MILICDGRCSVLPU-UHFFFAOYSA-N
Molecular Weight 399.262 g/mol
SMILES N(C1=NC(C=2C(OC3=C(C2)C=C(C=C3)Br)=O)=CS1)C1=CC=CC=C1