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N-(2-bromophenyl)-2-{[2-(2-pyridinyl)ethyl]sulfanyl}acetamide
SpectraBase Compound ID Bofw6fBH52s
InChI InChI=1S/C15H15BrN2OS/c16-13-6-1-2-7-14(13)18-15(19)11-20-10-8-12-5-3-4-9-17-12/h1-7,9H,8,10-11H2,(H,18,19)
InChIKey UWSXWTCKJWSTJQ-UHFFFAOYSA-N
Mol Weight 351.26 g/mol
Molecular Formula C15H15BrN2OS
Exact Mass 350.008847 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 62p74OA4C1k
Name N-(2-Bromophenyl)-2-{[2-(2-pyridinyl)ethyl]sulfanyl}acetamide
Comments Computed using HOSE algorithm
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Exact Mass 350.008847284 u
Formula C15H15BrN2OS
InChI InChI=1S/C15H15BrN2OS/c16-13-6-1-2-7-14(13)18-15(19)11-20-10-8-12-5-3-4-9-17-12/h1-7,9H,8,10-11H2,(H,18,19)
InChIKey UWSXWTCKJWSTJQ-UHFFFAOYSA-N
Molecular Weight 351.262 g/mol
SMILES N(C1=C(Br)C=CC=C1)C(=O)CSCCC=1N=CC=CC1