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3-{[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl}-1,3-benzoxazol-2(3H)-one
SpectraBase Compound ID GJBhwrs5SMR
InChI InChI=1S/C18H14N2O2S/c1-12-6-8-13(9-7-12)17-19-14(11-23-17)10-20-15-4-2-3-5-16(15)22-18(20)21/h2-9,11H,10H2,1H3
InChIKey MHIQNHZNJHKDKJ-UHFFFAOYSA-N
Mol Weight 322.38 g/mol
Molecular Formula C18H14N2O2S
Exact Mass 322.077599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kb99QIIB91h
Name 3-{[2-(4-Methylphenyl)-1,3-thiazol-4-yl]methyl}-1,3-benzoxazol-2(3H)-one
Comments Computed using HOSE algorithm
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Exact Mass 322.077598871 u
Formula C18H14N2O2S
InChI InChI=1S/C18H14N2O2S/c1-12-6-8-13(9-7-12)17-19-14(11-23-17)10-20-15-4-2-3-5-16(15)22-18(20)21/h2-9,11H,10H2,1H3
InChIKey MHIQNHZNJHKDKJ-UHFFFAOYSA-N
Molecular Weight 322.382 g/mol
SMILES C1=CC=C2N(C(OC2=C1)=O)CC=1N=C(C=2C=CC(=CC2)C)SC1