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25B-NB4OMe TFA derivative
SpectraBase Compound ID 9xgRQlHGJhu
InChI InChI=1S/C20H21BrF3NO4/c1-27-15-6-4-13(5-7-15)12-25(19(26)20(22,23)24)9-8-14-10-18(29-3)16(21)11-17(14)28-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey FYYANRWTABLJDT-UHFFFAOYSA-N
Mol Weight 476.29 g/mol
Molecular Formula C20H21BrF3NO4
Exact Mass 475.060606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ID93xfza2S
Name 25B-NB4OMe TFA derivative
Alternate Name(s) 2C-B-NB4OMe TFA derivative N-(4-bromo-2,5-dimethoxyphenethyl)-2,2,2-trifluoro-N-(4-methoxybenzyl)acetamide
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Formula C20H21BrF3NO4
InChI InChI=1S/C20H21BrF3NO4/c1-27-15-6-4-13(5-7-15)12-25(19(26)20(22,23)24)9-8-14-10-18(29-3)16(21)11-17(14)28-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey FYYANRWTABLJDT-UHFFFAOYSA-N
Molecular Weight 476.290 g/mol
SMILES C(C(=O)N(CCc1cc(c(cc1OC)Br)OC)Cc1ccc(cc1)OC)(F)(F)F
SPLASH splash10-00dl-3970100000-54d09405232699f2bdb3
Source of Spectrum SWG-33-4087-0
Wiley ID 1810738