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1-Butyl-2-methyl-3-(1-phenyl-1-propen-1-yl)-1H-indole II
SpectraBase Compound ID HlSE3oqJhNj
InChI InChI=1S/C22H25N/c1-4-6-16-23-17(3)22(20-14-10-11-15-21(20)23)19(5-2)18-12-8-7-9-13-18/h5,7-15H,4,6,16H2,1-3H3/b19-5+
InChIKey JKTKTZCTFRGSKE-PTXOJBNSSA-N
Mol Weight 303.45 g/mol
Molecular Formula C22H25N
Exact Mass 303.1987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ajzj3ij4G35
Name 1-Butyl-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 303.198699809 u
Formula C22H25N
InChI InChI=1S/C22H25N/c1-4-6-16-23-17(3)22(20-14-10-11-15-21(20)23)19(5-2)18-12-8-7-9-13-18/h5,7-15H,4,6,16H2,1-3H3/b19-5+
InChIKey JKTKTZCTFRGSKE-PTXOJBNSSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 303.449 g/mol
Nominal Mass 303 u
Quality 995
Retention Index 2430
SMILES C=1(C=2C(N(C1C)CCCC)=CC=CC2)\C(C=1C=CC=CC1)=C\C
SPLASH splash10-0uk9-1493000000-22d0c0937b75868f8d74
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-Butyl-2-methyl-3-(1-phenyl-1-propen-1-yl)indole II 1-butyl-2-methyl-3-(1-phenylprop-1-en-1-yl)-1H-indole
Technique GC/MS
Wiley ID DD2024_015362