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3-(1-(4-Ethylphenyl)-1-propen-1-yl)-(2-methylbutyl)-2-methyl-1H-indole
SpectraBase Compound ID BuyJHANs1lu
InChI InChI=1S/C25H31N/c1-6-18(4)17-26-19(5)25(23-11-9-10-12-24(23)26)22(8-3)21-15-13-20(7-2)14-16-21/h8-16,18H,6-7,17H2,1-5H3/b22-8+
InChIKey NBSXIMDAIRFIST-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 JJ0LOgWtJbs
Name 3-(1-(4-Ethylphenyl)-1-propen-1-yl)-(2-methylbutyl)-2-methyl-1H-indole
Classification Indole cannabinoid 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/c1-6-18(4)17-26-19(5)25(23-11-9-10-12-24(23)26)22(8-3)21-15-13-20(7-2)14-16-21/h8-16,18H,6-7,17H2,1-5H3/b22-8+
InChIKey NBSXIMDAIRFIST-GZIVZEMBSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 345.530 g/mol
Nominal Mass 345 u
Quality 996
Retention Index 2615
SMILES C=1(C=2C(N(C1C)CC(CC)C)=CC=CC2)\C(C1=CC=C(C=C1)CC)=C\C
SPLASH splash10-00kk-0289000000-7cb0360a6a33650af59a
Sample Comments cis/trans isomerism uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 3-(1-(4-Ethylphenyl)-1-propen-1-yl)-(2-methylbutyl)-2-methylindole 3-(1-(4-ethylphenyl)prop-1-en-1-yl)-2-methyl-1-(2-methylbutyl)-1H-indole
Technique GC/MS
Wiley ID DD2024_015646