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25B-NBF HFBA derivative
SpectraBase Compound ID 6A1dAWuQvpR
InChI InChI=1S/C21H18BrF8NO3/c1-33-16-10-14(22)17(34-2)9-12(16)7-8-31(11-13-5-3-4-6-15(13)23)18(32)19(24,25)20(26,27)21(28,29)30/h3-6,9-10H,7-8,11H2,1-2H3
InChIKey XFWSJSOBBQTREL-UHFFFAOYSA-N
Mol Weight 564.27 g/mol
Molecular Formula C21H18BrF8NO3
Exact Mass 563.034232 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bb40d32lzZZ
Name 25B-NBF HFBA derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrF8NO3
InChI InChI=1S/C21H18BrF8NO3/c1-33-16-10-14(22)17(34-2)9-12(16)7-8-31(11-13-5-3-4-6-15(13)23)18(32)19(24,25)20(26,27)21(28,29)30/h3-6,9-10H,7-8,11H2,1-2H3
InChIKey XFWSJSOBBQTREL-UHFFFAOYSA-N
Molecular Weight 564.270 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(=O)N(CCc1c(cc(c(c1)OC)Br)OC)Cc1c(cccc1)F
SPLASH splash10-0a4l-1980000000-3577e578f28dfacca082
Source of Spectrum SWG-33-4414-0
Synonyms 2C-B-NBF HFBA derivative N-(4-bromo-2,5-dimethoxyphenethyl)-2,2,3,3,4,4,4-heptafluoro-N-(2-fluorobenzyl)butanamide
Wiley ID 1811021