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25B-NB4OMe HFBA derivative
SpectraBase Compound ID CV3W4Xnp09d
InChI InChI=1S/C22H21BrF7NO4/c1-33-15-6-4-13(5-7-15)12-31(19(32)20(24,25)21(26,27)22(28,29)30)9-8-14-10-18(35-3)16(23)11-17(14)34-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey OYUUGTVTMIRBKS-UHFFFAOYSA-N
Mol Weight 576.31 g/mol
Molecular Formula C22H21BrF7NO4
Exact Mass 575.054218 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RaF2PVM7Te
Name 25B-NB4OMe HFBA derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21BrF7NO4
InChI InChI=1S/C22H21BrF7NO4/c1-33-15-6-4-13(5-7-15)12-31(19(32)20(24,25)21(26,27)22(28,29)30)9-8-14-10-18(35-3)16(23)11-17(14)34-2/h4-7,10-11H,8-9,12H2,1-3H3
InChIKey OYUUGTVTMIRBKS-UHFFFAOYSA-N
Molecular Weight 576.306 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(=O)N(CCc1cc(c(cc1OC)Br)OC)Cc1ccc(cc1)OC
SPLASH splash10-00dl-2960000000-4c87d1fbe54261c412b6
Source of Spectrum SWG-33-4098-0
Synonyms 2C-B-NB4OMe HFBA derivative N-(4-bromo-2,5-dimethoxyphenethyl)-2,2,3,3,4,4,4-heptafluoro-N-(4-methoxybenzyl)butanamide
Wiley ID 1810748