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1-iso-Butyl-2-methyl-3-(1-(4-propylphenyl)-1-propen-1-yl)1H-indole II
SpectraBase Compound ID L7P1oq4MvsM
InChI InChI=1S/C25H31N/c1-6-10-20-13-15-21(16-14-20)22(7-2)25-19(5)26(17-18(3)4)24-12-9-8-11-23(24)25/h7-9,11-16,18H,6,10,17H2,1-5H3/b22-7+
InChIKey CWVKIKPBNAHEBV-QPJQQBGISA-N
Mol Weight 345.53 g/mol
Molecular Formula C25H31N
Exact Mass 345.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GZHVt3HMTsu
Name 1-iso-Butyl-2-methyl-3-(1-(4-propylphenyl)-1-propen-1-yl)1H-indole I
Classification Designer drug side product
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 345.245650002 u
Formula C25H31N
InChI InChI=1S/C25H31N/c1-6-10-20-13-15-21(16-14-20)22(7-2)25-19(5)26(17-18(3)4)24-12-9-8-11-23(24)25/h7-9,11-16,18H,6,10,17H2,1-5H3/b22-7+
InChIKey CWVKIKPBNAHEBV-QPJQQBGISA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 345.530 g/mol
Nominal Mass 345 u
Quality 992
Retention Index 2613
SMILES C=1(C=2C(N(C1C)CC(C)C)=CC=CC2)\C(C=1C=CC(=CC1)CCC)=C\C
SPLASH splash10-0f6y-3589000000-8d3852d03e6f148b8cb8
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 2-methyl-1-(2-methylpropyl)-3-(1-(4-propylphenyl)prop-1-en-1-yl)-1H-indole
Technique GC/MS
Wiley ID DD2024_015779