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Diiodomescaline TFA
SpectraBase Compound ID 6VaTBNJT59o
InChI InChI=1S/C13H14F3I2NO4/c1-21-9-7(17)6(4-5-19-12(20)13(14,15)16)8(18)10(22-2)11(9)23-3/h4-5H2,1-3H3,(H,19,20)
InChIKey ZLDHNELYYGRTJM-UHFFFAOYSA-N
Mol Weight 559.06 g/mol
Molecular Formula C13H14F3I2NO4
Exact Mass 558.896432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8K1KnyH9qm8
Name Diiodomescaline TFA
Classification Drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 558.896432420 u
Formula C13H14F3I2NO4
InChI InChI=1S/C13H14F3I2NO4/c1-21-9-7(17)6(4-5-19-12(20)13(14,15)16)8(18)10(22-2)11(9)23-3/h4-5H2,1-3H3,(H,19,20)
InChIKey ZLDHNELYYGRTJM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 559.062 g/mol
Nominal Mass 559 u
Quality 976
Retention Index 2384
SMILES C=1(C(=C(C(=C(C1OC)I)CCNC(C(F)(F)F)=O)I)OC)OC
SPLASH splash10-0a4i-2459410000-95c6a2a0a1f128bb8c39
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-(2-(2,6-diiodo-3,4,5-trimethoxyphenyl)ethyl)(trifluoro)acetamide
Technique GC/MS
Wiley ID DD2024_005976