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25C-NB4OMe HFBA derivative
SpectraBase Compound ID 4uotB7AsMjW
InChI InChI=1S/C22H21ClF7NO4/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 MOLCBIKESGPXNN-UHFFFAOYSA-N
Mol Weight 531.85 g/mol
Molecular Formula C22H21ClF7NO4
Exact Mass 531.104733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D13P0IzZy7b
Name 25C-NB4OMe HFBA derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H21ClF7NO4
InChI InChI=1S/C22H21ClF7NO4/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 MOLCBIKESGPXNN-UHFFFAOYSA-N
Molecular Weight 531.855 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(=O)N(CCc1cc(c(cc1OC)Cl)OC)Cc1ccc(cc1)OC
SPLASH splash10-00dj-1900000000-f9228d8c1bd98c49ba65
Source of Spectrum SWG-33-4097-0
Synonyms 2C-C-NB4OMe HFBA derivative N-(4-chloro-2,5-dimethoxyphenethyl)-2,2,3,3,4,4,4-heptafluoro-N-(4-methoxybenzyl)butanamide
Wiley ID 1810747