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N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
SpectraBase Compound ID DK0OR4IJmys
InChI InChI=1S/C18H14N2O3S/c1-11-2-4-12(5-3-11)14-9-24-18(19-14)20-17(21)13-6-7-15-16(8-13)23-10-22-15/h2-9H,10H2,1H3,(H,19,20,21)
InChIKey ZSXVENGJKRGISS-UHFFFAOYSA-N
Mol Weight 338.38 g/mol
Molecular Formula C18H14N2O3S
Exact Mass 338.072513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 39cnRmAkFLq
Name N-[4-(4-Methylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 338.072513490 u
Formula C18H14N2O3S
InChI InChI=1S/C18H14N2O3S/c1-11-2-4-12(5-3-11)14-9-24-18(19-14)20-17(21)13-6-7-15-16(8-13)23-10-22-15/h2-9H,10H2,1H3,(H,19,20,21)
InChIKey ZSXVENGJKRGISS-UHFFFAOYSA-N
Molecular Weight 338.381 g/mol
SMILES N(C1=NC(C2=CC=C(C=C2)C)=CS1)C(C1=CC=2OCOC2C=C1)=O