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acetamide, N-[3-(2-benzothiazolyl)-4-hydroxyphenyl]-2-(2,4-dichloro-6-methylphenoxy)-
SpectraBase Compound ID EL8Qh7TfCOj
InChI InChI=1S/C22H16Cl2N2O3S/c1-12-8-13(23)9-16(24)21(12)29-11-20(28)25-14-6-7-18(27)15(10-14)22-26-17-4-2-3-5-19(17)30-22/h2-10,27H,11H2,1H3,(H,25,28)
InChIKey NXEUNOWMLXNIQT-UHFFFAOYSA-N
Mol Weight 459.35 g/mol
Molecular Formula C22H16Cl2N2O3S
Exact Mass 458.025869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3x3LvMlB2wX
Name Acetamide, N-[3-(2-benzothiazolyl)-4-hydroxyphenyl]-2-(2,4-dichloro-6-methylphenoxy)-
Comments Computed using HOSE algorithm
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Exact Mass 458.025868954 u
Formula C22H16Cl2N2O3S
InChI InChI=1S/C22H16Cl2N2O3S/c1-12-8-13(23)9-16(24)21(12)29-11-20(28)25-14-6-7-18(27)15(10-14)22-26-17-4-2-3-5-19(17)30-22/h2-10,27H,11H2,1H3,(H,25,28)
InChIKey NXEUNOWMLXNIQT-UHFFFAOYSA-N
Molecular Weight 459.347 g/mol
SMILES N(C(=O)COC=1C(=CC(=CC1C)Cl)Cl)C=1C=C(C(=CC1)O)C1=NC=2C=CC=CC2S1