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N-(1,3-benzothiazol-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide
SpectraBase Compound ID DMK10DGQHtZ
InChI InChI=1S/C17H10N2O3S/c20-15(19-17-18-12-7-3-4-8-14(12)23-17)13-9-10-5-1-2-6-11(10)16(21)22-13/h1-9H,(H,18,19,20)
InChIKey UPHXVJIIVNCDRJ-UHFFFAOYSA-N
Mol Weight 322.34 g/mol
Molecular Formula C17H10N2O3S
Exact Mass 322.041213 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4EVGED0CmQi
Name N-(1,3-Benzothiazol-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 322.041213361 u
Formula C17H10N2O3S
InChI InChI=1S/C17H10N2O3S/c20-15(19-17-18-12-7-3-4-8-14(12)23-17)13-9-10-5-1-2-6-11(10)16(21)22-13/h1-9H,(H,18,19,20)
InChIKey UPHXVJIIVNCDRJ-UHFFFAOYSA-N
Molecular Weight 322.338 g/mol
SMILES N(C1=NC=2C=CC=CC2S1)C(C=1OC(=O)C=2C(C1)=CC=CC2)=O