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2C-YN-A 2BU (HI)
SpectraBase Compound ID JLfae4qmQyT
InChI InChI=1S/C20H32INO2/c1-5-7-12-22(13-8-6-2)14-10-18-16-19(23-3)17(9-11-21)15-20(18)24-4/h9,11,15-16H,5-8,10,12-14H2,1-4H3/b11-9+
InChIKey XNRNVKYXYNXWSJ-PKNBQFBNSA-N
Mol Weight 445.4 g/mol
Molecular Formula C20H32INO2
Exact Mass 445.147774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HMvp3TtPm4
Name 2C-YN-A 2BU (HI)
Classification Designer drug derivative artifact
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 445.147774272 u
Formula C20H32INO2
InChI InChI=1S/C20H32INO2/c1-5-7-12-22(13-8-6-2)14-10-18-16-19(23-3)17(9-11-21)15-20(18)24-4/h9,11,15-16H,5-8,10,12-14H2,1-4H3/b11-9+
InChIKey XNRNVKYXYNXWSJ-PKNBQFBNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 445.385 g/mol
Nominal Mass 445 u
Quality 996
Retention Index 2426
SMILES C=1(C(=CC(=C(C1)OC)\C=C\I)OC)CCN(CCCC)CCCC
SPLASH splash10-0006-1900000000-2ffdc2132a7e88b5199a
Sample Comments Iodine position uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N,N-Dibutyl-4-(iodoethenyl)-2,5-dimethoxyphenethylamine N-butyl-N-(2-(4-((E)-2-iodoethenyl)-2,5-dimethoxyphenyl)ethyl)butan-1-amine
Technique GC/MS
Wiley ID DD2024_016553