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N-(4-acetylphenyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID 3Ddr1hLNNkd
InChI InChI=1S/C17H13ClN2O2S2/c1-10(21)11-2-5-13(6-3-11)19-16(22)9-23-17-20-14-8-12(18)4-7-15(14)24-17/h2-8H,9H2,1H3,(H,19,22)
InChIKey YBOOCHSXKCTJNR-UHFFFAOYSA-N
Mol Weight 376.88 g/mol
Molecular Formula C17H13ClN2O2S2
Exact Mass 376.010698 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EkwdLARdLKr
Name N-(4-Acetylphenyl)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 376.010697713 u
Formula C17H13ClN2O2S2
InChI InChI=1S/C17H13ClN2O2S2/c1-10(21)11-2-5-13(6-3-11)19-16(22)9-23-17-20-14-8-12(18)4-7-15(14)24-17/h2-8H,9H2,1H3,(H,19,22)
InChIKey YBOOCHSXKCTJNR-UHFFFAOYSA-N
Molecular Weight 376.876 g/mol
SMILES N(C(CSC1=NC=2C=C(Cl)C=CC2S1)=O)C1=CC=C(C(=O)C)C=C1