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4-(3-METHYL-2-BUTENYL)INDOLE
SpectraBase Compound ID KSHNGdIcoP2
InChI InChI=1S/C13H15N/c1-10(2)6-7-11-4-3-5-13-12(11)8-9-14-13/h3-6,8-9,14H,7H2,1-2H3
InChIKey WQINDMXFLATZJX-UHFFFAOYSA-N
Mol Weight 185.27 g/mol
Molecular Formula C13H15N
Exact Mass 185.120449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFnI7uNLNgn
Name 4-(3-Methyl-2-butenyl)-1H-indole
CAS Registry Number 926-27-2
Comments Note: The molecular formula of the structure shown is C13H15N - which differs from the formula reported for the mass spectrum (C13H13D2N)
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Formula C13H13D2N
InChI InChI=1S/C13H15N/c1-10(2)6-7-11-4-3-5-13-12(11)8-9-14-13/h3-6,8-9,14H,7H2,1-2H3
InChIKey WQINDMXFLATZJX-UHFFFAOYSA-N
Molecular Weight 185.270 g/mol
SMILES [nH]1ccc2c(cccc12)CC=C(C)C
SPLASH splash10-00ei-2900000000-f705267c7ef6463c3b39
Synonyms 1H-Indole, 4-(3-methyl-2-butenyl)- 4-(3-Methylbut-2-enyl)-1H-indole
Wiley ID 1488445