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acetamide, 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-N-(4-butoxyphenyl)-

View entire compound with spectra: 2 NMR

acetamide, 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-N-(4-butoxyphenyl)-
SpectraBase Compound ID FMaeZukksTe
InChI InChI=1S/C20H22BrNO3S/c1-2-3-12-25-18-10-8-17(9-11-18)22-20(24)14-26-13-19(23)15-4-6-16(21)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,24)
InChIKey PRYOPYVAHWJKAI-UHFFFAOYSA-N
Mol Weight 436.36 g/mol
Molecular Formula C20H22BrNO3S
Exact Mass 435.050378 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HUWP2VCSED2
Name Acetamide, 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-N-(4-butoxyphenyl)-
Comments Computed using HOSE algorithm
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Exact Mass 435.050377743 u
Formula C20H22BrNO3S
InChI InChI=1S/C20H22BrNO3S/c1-2-3-12-25-18-10-8-17(9-11-18)22-20(24)14-26-13-19(23)15-4-6-16(21)7-5-15/h4-11H,2-3,12-14H2,1H3,(H,22,24)
InChIKey PRYOPYVAHWJKAI-UHFFFAOYSA-N
Molecular Weight 436.364 g/mol
SMILES N(C(=O)CSCC(C=1C=CC(=CC1)Br)=O)C=1C=CC(=CC1)OCCCC