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N-(5-benzoyl-2-hydroxybenzyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
SpectraBase Compound ID LlvkdPaPlKL
InChI InChI=1S/C20H19N3O3S/c1-23-10-9-21-20(23)27-13-18(25)22-12-16-11-15(7-8-17(16)24)19(26)14-5-3-2-4-6-14/h2-11,24H,12-13H2,1H3,(H,22,25)
InChIKey GZBLTNUKRWBCBI-UHFFFAOYSA-N
Mol Weight 381.45 g/mol
Molecular Formula C20H19N3O3S
Exact Mass 381.114713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHDAJ7qp4XU
Name N-(5-Benzoyl-2-hydroxybenzyl)-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetamide
Comments Computed using HOSE algorithm
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Exact Mass 381.114712655 u
Formula C20H19N3O3S
InChI InChI=1S/C20H19N3O3S/c1-23-10-9-21-20(23)27-13-18(25)22-12-16-11-15(7-8-17(16)24)19(26)14-5-3-2-4-6-14/h2-11,24H,12-13H2,1H3,(H,22,25)
InChIKey GZBLTNUKRWBCBI-UHFFFAOYSA-N
Molecular Weight 381.450 g/mol
SMILES N(C(CSC=1N(C=CN1)C)=O)CC=1C(=CC=C(C1)C(=O)C=1C=CC=CC1)O