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3-Butylindole
SpectraBase Compound ID 6J9VusrihGH
InChI InChI=1S/C12H15N/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12/h4-5,7-9,13H,2-3,6H2,1H3
InChIKey YSDBYSJVQSHFOE-UHFFFAOYSA-N
Mol Weight 173.26 g/mol
Molecular Formula C12H15N
Exact Mass 173.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2leDZgh3oRM
Name 3-Butylindole
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 173.120449487 u
Formula C12H15N
InChI InChI=1S/C12H15N/c1-2-3-6-10-9-13-12-8-5-4-7-11(10)12/h4-5,7-9,13H,2-3,6H2,1H3
InChIKey YSDBYSJVQSHFOE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 173.259 g/mol
Nominal Mass 173 u
Quality 910
Retention Index 1641
SMILES C=12C(NC=C2CCCC)=CC=CC1
SPLASH splash10-001i-0900000000-12b921634302e5b582a0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Indole,3-butyl 3-Butyl-1H-indole
Technique GC/MS
Wiley ID DD2024_013610