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1-(3-Bromobenzyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)-1H-indole II
SpectraBase Compound ID JlTBgXMJrzb
InChI InChI=1S/C25H22BrN/c1-3-22(20-11-5-4-6-12-20)25-18(2)27(24-15-8-7-14-23(24)25)17-19-10-9-13-21(26)16-19/h3-16H,17H2,1-2H3/b22-3+
InChIKey VGOFMVUBSLGPBW-HEQWTUPCSA-N
Mol Weight 416.36 g/mol
Molecular Formula C25H22BrN
Exact Mass 415.093563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lb10J0pqF6
Name 1-(3-Bromobenzyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)-1H-indole II
Classification Indole cannabinoid side product
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 415.093562712 u
Formula C25H22BrN
InChI InChI=1S/C25H22BrN/c1-3-22(20-11-5-4-6-12-20)25-18(2)27(24-15-8-7-14-23(24)25)17-19-10-9-13-21(26)16-19/h3-16H,17H2,1-2H3/b22-3+
InChIKey VGOFMVUBSLGPBW-HEQWTUPCSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 416.362 g/mol
Nominal Mass 415 u
Quality 756
Retention Index 3062
SMILES C=1(C=2C(N(C1C)CC=1C=C(C=CC1)Br)=CC=CC2)\C(C1=CC=CC=C1)=C\C
SPLASH splash10-01b9-7951700000-38eeda382e9055e13496
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(3-Bromobenzyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)indole II 1-(3-bromobenzyl)-2-methyl-3-(1-phenylprop-1-en-1-yl)-1H-indole
Technique GC/MS
Wiley ID DD2024_015390