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25I-NB-3-F TFA derivative
SpectraBase Compound ID iC48Z65qtO
InChI InChI=1S/C19H18F4INO3/c1-27-16-10-15(24)17(28-2)9-13(16)6-7-25(18(26)19(21,22)23)11-12-4-3-5-14(20)8-12/h3-5,8-10H,6-7,11H2,1-2H3
InChIKey PDHSRWXPQLLOAL-UHFFFAOYSA-N
Mol Weight 511.26 g/mol
Molecular Formula C19H18F4INO3
Exact Mass 511.026751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3POudc52J6
Name 25I-NB-3-F TFA derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18F4INO3
InChI InChI=1S/C19H18F4INO3/c1-27-16-10-15(24)17(28-2)9-13(16)6-7-25(18(26)19(21,22)23)11-12-4-3-5-14(20)8-12/h3-5,8-10H,6-7,11H2,1-2H3
InChIKey PDHSRWXPQLLOAL-UHFFFAOYSA-N
Molecular Weight 511.255 g/mol
SMILES C(C(=O)N(CCc1c(cc(c(c1)OC)I)OC)Cc1cc(ccc1)F)(F)(F)F
SPLASH splash10-054o-4890010000-922ce363c5294592b9b0
Source of Spectrum SWG-33-4090-0
Synonyms 2C-I-NB-3-F TFA derivative 2,2,2-trifluoro-N-(3-fluorobenzyl)-N-(4-iodo-2,5-dimethoxyphenethyl)acetamide
Wiley ID 1810740