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AB-FUBINACA 3TMS
SpectraBase Compound ID nIADa2DBRW
InChI InChI=1S/C29H45FN4O2Si3/c1-21(2)27(28(32-37(3,4)5)36-39(9,10)11)34(38(6,7)8)29(35)26-24-14-12-13-15-25(24)33(31-26)20-22-16-18-23(30)19-17-22/h12-19,21,27H,20H2,1-11H3/b32-28-
InChIKey ALYAJNAWORBJRC-BLCKFSMSSA-N
Mol Weight 585.0 g/mol
Molecular Formula C29H45FN4O2Si3
Exact Mass 584.283434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2ng9HvL77oG
Name AB-FUBINACA 3TMS
Classification Indazole cannabinoid designer drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 584.283434471 u
Formula C29H45FN4O2Si3
InChI InChI=1S/C29H45FN4O2Si3/c1-21(2)27(28(32-37(3,4)5)36-39(9,10)11)34(38(6,7)8)29(35)26-24-14-12-13-15-25(24)33(31-26)20-22-16-18-23(30)19-17-22/h12-19,21,27H,20H2,1-11H3/b32-28-
InChIKey ALYAJNAWORBJRC-BLCKFSMSSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 584.958 g/mol
Nominal Mass 584 u
Quality 1000
Retention Index 2888
SMILES C(N(C(C=1C=2C(N(N1)CC=1C=CC(=CC1)F)=CC=CC2)=O)[Si](C)(C)C)(\C(O[Si](C)(C)C)=N\[Si](C)(C)C)C(C)C
SPLASH splash10-0079-4911000000-03eb952264deb1b2376c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trimethylsilyl (1Z)-2-(((1-(4-fluorobenzyl)-1H-indazol-3-yl)carbonyl)(trimethylsilyl)amino)-\r3-methyl-N-(trimethylsilyl)butanimidate
Technique GC/MS
Wiley ID DD2024_018626