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1-iso-Pentyl-2-methyl-3-(1-(4-propylphenyl)-1-propen-1-yl)1H-indole II
SpectraBase Compound ID KriAjxRcOz
InChI InChI=1S/C26H33N/c1-6-10-21-13-15-22(16-14-21)23(7-2)26-20(5)27(18-17-19(3)4)25-12-9-8-11-24(25)26/h7-9,11-16,19H,6,10,17-18H2,1-5H3/b23-7+
InChIKey JQJHNUKEXZCWBW-HCGXMYGOSA-N
Mol Weight 359.6 g/mol
Molecular Formula C26H33N
Exact Mass 359.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VJcSqmlQIq
Name 1-iso-Pentyl-2-methyl-3-(1-(4-propylphenyl)-1-propen-1-yl)1H-indole II
Classification Designer drug side product
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 359.261300067 u
Formula C26H33N
InChI InChI=1S/C26H33N/c1-6-10-21-13-15-22(16-14-21)23(7-2)26-20(5)27(18-17-19(3)4)25-12-9-8-11-24(25)26/h7-9,11-16,19H,6,10,17-18H2,1-5H3/b23-7+
InChIKey JQJHNUKEXZCWBW-HCGXMYGOSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 359.557 g/mol
Nominal Mass 359 u
Quality 991
Retention Index 2752
SMILES C=1(C=2C(N(C1C)CCC(C)C)=CC=CC2)\C(C=1C=CC(=CC1)CCC)=C\C
SPLASH splash10-0a5c-4479000000-8a20961a97dc14e3eb54
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-methyl-1-(3-methylbutyl)-3-(1-(4-propylphenyl)prop-1-en-1-yl)-1H-indole
Technique GC/MS
Wiley ID DD2024_015799