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N-(Pyrimidin-2-yl)-1,3-benzothiazol-2-amine
SpectraBase Compound ID Iz0GSutNHRg
InChI InChI=1S/C11H8N4S/c1-2-5-9-8(4-1)14-11(16-9)15-10-12-6-3-7-13-10/h1-7H,(H,12,13,14,15)
InChIKey CJTOFJMUMLSNLZ-UHFFFAOYSA-N
Mol Weight 228.27 g/mol
Molecular Formula C11H8N4S
Exact Mass 228.046967 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J9OjfIfAOiM
Name N-(Pyrimidin-2-yl)-1,3-benzothiazol-2-amine
Comments Computed using HOSE algorithm
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Exact Mass 228.046967448 u
Formula C11H8N4S
InChI InChI=1S/C11H8N4S/c1-2-5-9-8(4-1)14-11(16-9)15-10-12-6-3-7-13-10/h1-7H,(H,12,13,14,15)
InChIKey CJTOFJMUMLSNLZ-UHFFFAOYSA-N
Molecular Weight 228.273 g/mol
SMILES C1=CN=C(N=C1)NC1=NC=2C=CC=CC2S1