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1-(2-Methylbutyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)-1H-indole I
SpectraBase Compound ID 2NSj3cDLE1m
InChI InChI=1S/C23H27N/c1-5-17(3)16-24-18(4)23(21-14-10-11-15-22(21)24)20(6-2)19-12-8-7-9-13-19/h6-15,17H,5,16H2,1-4H3/b20-6+
InChIKey XYLNPXXQLCMNTI-CGOBSMCZSA-N
Mol Weight 317.48 g/mol
Molecular Formula C23H27N
Exact Mass 317.21435 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JJ2FjBVRNPU
Name 1-(2-Methylbutyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)-1H-indole I
Classification Indole cannabinoid side product
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 317.214349873 u
Formula C23H27N
InChI InChI=1S/C23H27N/c1-5-17(3)16-24-18(4)23(21-14-10-11-15-22(21)24)20(6-2)19-12-8-7-9-13-19/h6-15,17H,5,16H2,1-4H3/b20-6+
InChIKey XYLNPXXQLCMNTI-CGOBSMCZSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 317.476 g/mol
Nominal Mass 317 u
Quality 986
Retention Index 2426
SMILES C=1(\C(C=2C=CC=CC2)=C\C)C=2C(N(C1C)CC(CC)C)=CC=CC2
SPLASH splash10-02ar-2592000000-fa2f66688b9269d8593d
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2-Methylbutyl)-2-methyl-3-(1-phenyl-1-propen-1-yl)indole I 2-methyl-1-(2-methylbutyl)-3-(1-phenylprop-1-en-1-yl)-1H-indole
Technique GC/MS
Wiley ID DD2024_015386