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2-n-Butyl-3-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)indole
SpectraBase Compound ID CXgkrwkvqec
InChI InChI=1S/C22H31N/c1-6-7-11-19-20(17-10-8-9-12-18(17)23-19)16-13-21(2,3)15-22(4,5)14-16/h8-10,12-13,23H,6-7,11,14-15H2,1-5H3
InChIKey DKFPRLKCPDYDMY-UHFFFAOYSA-N
Mol Weight 309.5 g/mol
Molecular Formula C22H31N
Exact Mass 309.24565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K2SHUiQJIz5
Name 2-n-Butyl-3-(3,3,5,5-tetramethylcyclohex-1-en-1-yl)indole
Alternate Name(s) 2-butyl-3-(3,3,5,5-tetramethyl-1-cyclohexen-1-yl)-1H-indole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31N
InChI InChI=1S/C22H31N/c1-6-7-11-19-20(17-10-8-9-12-18(17)23-19)16-13-21(2,3)15-22(4,5)14-16/h8-10,12-13,23H,6-7,11,14-15H2,1-5H3
InChIKey DKFPRLKCPDYDMY-UHFFFAOYSA-N
Molecular Weight 309.497 g/mol
SMILES [nH]1c2c(c(c1CCCC)C1=CC(C)(C)CC(C1)(C)C)cccc2
SPLASH splash10-0006-0093000000-f33ba6d3220148dc57cb
Source of Spectrum AT-33-3916-5
Wiley ID 836334