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1H-Indole, 3-hexyl-
SpectraBase Compound ID KjqzX9Z63xV
InChI InChI=1S/C14H19N/c1-2-3-4-5-8-12-11-15-14-10-7-6-9-13(12)14/h6-7,9-11,15H,2-5,8H2,1H3
InChIKey KOCUSTAUIJDXER-UHFFFAOYSA-N
Mol Weight 201.31 g/mol
Molecular Formula C14H19N
Exact Mass 201.15175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KH8WgzF0AAw
Name 1H-Indole, 3-hexyl-
CAS Registry Number 52604-06-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19N
InChI InChI=1S/C14H19N/c1-2-3-4-5-8-12-11-15-14-10-7-6-9-13(12)14/h6-7,9-11,15H,2-5,8H2,1H3
InChIKey KOCUSTAUIJDXER-UHFFFAOYSA-N
Molecular Weight 201.313 g/mol
SMILES [nH]1c2c(c(c1)CCCCCC)cccc2
SPLASH splash10-001i-0910000000-84793a90f4ff35f4c0ab
Source of Spectrum C-97-2495-0
Synonyms 3-hexyl-1H-indole 3-Hexylindole
Wiley ID 1199008