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N-[2-(3',4'-Dimethoxyphenyl)-2-phenylthioethyl]-2-bromo-4,5-dimethoxybenzamide
SpectraBase Compound ID BFVc4NPgiH0
InChI InChI=1S/C25H26BrNO5S/c1-29-20-11-10-16(12-21(20)30-2)24(33-17-8-6-5-7-9-17)15-27-25(28)18-13-22(31-3)23(32-4)14-19(18)26/h5-14,24H,15H2,1-4H3,(H,27,28)
InChIKey HTXUEDHGOKVJGQ-UHFFFAOYSA-N
Mol Weight 532.45 g/mol
Molecular Formula C25H26BrNO5S
Exact Mass 531.071507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fo5Es2d16il
Name N-[2-(3',4'-Dimethoxyphenyl)-2-phenylthioethyl]-2-bromo-4,5-dimethoxybenzamide
Alternate Name(s) 2-Bromo-N-[2-(3,4-dimethoxyphenyl)-2-(phenylsulfanyl)ethyl]-4,5-dimethoxybenzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26BrNO5S
InChI InChI=1S/C25H26BrNO5S/c1-29-20-11-10-16(12-21(20)30-2)24(33-17-8-6-5-7-9-17)15-27-25(28)18-13-22(31-3)23(32-4)14-19(18)26/h5-14,24H,15H2,1-4H3,(H,27,28)
InChIKey HTXUEDHGOKVJGQ-UHFFFAOYSA-N
Molecular Weight 532.449 g/mol
SMILES N(C(c1c(cc(c(c1)OC)OC)Br)=O)CC(c1cc(OC)c(cc1)OC)Sc1ccccc1
SPLASH splash10-001m-0590000000-903503ae1a3f45b540e8
Source of Spectrum F-51-10806-3
Wiley ID 793662