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1-(But-2-yl)-2-methyl-3-(1-(4-propylphenyl)-1-propen-1-yl)1H-indole I
SpectraBase Compound ID BqN223AOD8i
InChI InChI=1S/C25H31N/c1-6-11-20-14-16-21(17-15-20)22(8-3)25-19(5)26(18(4)7-2)24-13-10-9-12-23(24)25/h8-10,12-18H,6-7,11H2,1-5H3/b22-8+
InChIKey LQIPUBUORUEDPS-GZIVZEMBSA-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 JETzuFwpLCS
Name 1-(But-2-yl)-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/c1-6-11-20-14-16-21(17-15-20)22(8-3)25-19(5)26(18(4)7-2)24-13-10-9-12-23(24)25/h8-10,12-18H,6-7,11H2,1-5H3/b22-8+
InChIKey LQIPUBUORUEDPS-GZIVZEMBSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 345.530 g/mol
Nominal Mass 345 u
Quality 986
Retention Index 2560
SMILES C=1(C=2C(N(C1C)C(CC)C)=CC=CC2)\C(C=1C=CC(=CC1)CCC)=C\C
SPLASH splash10-00ke-3269000000-6e4067ddf3d832cd804c
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(butan-2-yl)-2-methyl-3-(1-(4-propylphenyl)prop-1-en-1-yl)-1H-indole
Technique GC/MS
Wiley ID DD2024_015781