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6-Bromo-2-oxo-2H-chromene-3-carbothioamide
SpectraBase Compound ID 8Omxdaqt7oc
InChI InChI=1S/C10H6BrNO2S/c11-6-1-2-8-5(3-6)4-7(9(12)15)10(13)14-8/h1-4H,(H2,12,15)
InChIKey KQFPMTHDZLPRKW-UHFFFAOYSA-N
Mol Weight 284.13 g/mol
Molecular Formula C10H6BrNO2S
Exact Mass 282.930263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KYKsnzm3Glx
Name 6-Bromo-2-oxo-2H-chromene-3-carbothioamide
Comments Computed using HOSE algorithm
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Exact Mass 282.930262609 u
Formula C10H6BrNO2S
InChI InChI=1S/C10H6BrNO2S/c11-6-1-2-8-5(3-6)4-7(9(12)15)10(13)14-8/h1-4H,(H2,12,15)
InChIKey KQFPMTHDZLPRKW-UHFFFAOYSA-N
SMILES C12=C(OC(=O)C(=C2)C(N)=S)C=CC(=C1)Br