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25I-NB-3-F HFBA derivative
SpectraBase Compound ID 58n2TDRFGAb
InChI InChI=1S/C21H18F8INO3/c1-33-16-10-15(30)17(34-2)9-13(16)6-7-31(11-12-4-3-5-14(22)8-12)18(32)19(23,24)20(25,26)21(27,28)29/h3-5,8-10H,6-7,11H2,1-2H3
InChIKey QCXUCUOZHVBNHR-UHFFFAOYSA-N
Mol Weight 611.27 g/mol
Molecular Formula C21H18F8INO3
Exact Mass 611.020364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMU7920kZkk
Name 25I-NB-3-F HFBA derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18F8INO3
InChI InChI=1S/C21H18F8INO3/c1-33-16-10-15(30)17(34-2)9-13(16)6-7-31(11-12-4-3-5-14(22)8-12)18(32)19(23,24)20(25,26)21(27,28)29/h3-5,8-10H,6-7,11H2,1-2H3
InChIKey QCXUCUOZHVBNHR-UHFFFAOYSA-N
Molecular Weight 611.271 g/mol
SMILES C(C(C(C(F)(F)F)(F)F)(F)F)(=O)N(CCc1c(cc(c(c1)OC)I)OC)Cc1cc(ccc1)F
SPLASH splash10-052f-3790000000-481fde3ba92e46c6e0d3
Source of Spectrum SWG-33-4103-0
Synonyms 2C-I-NB-3-F HFBA derivative 2,2,3,3,4,4,4-heptafluoro-N-(3-fluorobenzyl)-N-(4-iodo-2,5-dimethoxyphenethyl)butanamide
Wiley ID 1810752