For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1,3-Dihexyl-5-methylindole
SpectraBase Compound ID L2oVtaXnDHj
InChI InChI=1S/C21H33N/c1-4-6-8-10-12-19-17-22(15-11-9-7-5-2)21-14-13-18(3)16-20(19)21/h13-14,16-17H,4-12,15H2,1-3H3
InChIKey SPWNKFQPFVIDFI-UHFFFAOYSA-N
Mol Weight 299.5 g/mol
Molecular Formula C21H33N
Exact Mass 299.2613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8JtxFS4Yg1g
Name 1,3-Dihexyl-5-methylindole
Classification Pharmaceutical drug intermediate
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 299.261300067 u
Formula C21H33N
InChI InChI=1S/C21H33N/c1-4-6-8-10-12-19-17-22(15-11-9-7-5-2)21-14-13-18(3)16-20(19)21/h13-14,16-17H,4-12,15H2,1-3H3
InChIKey SPWNKFQPFVIDFI-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 299.502 g/mol
Nominal Mass 299 u
Quality 834
Retention Index 2246
SMILES C=12C(C(=CN2CCCCCC)CCCCCC)=CC(=CC1)C
SPLASH splash10-004i-1590000000-6bda1320abad1cdf5469
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Indole,1,3-dihexyl-5-methyl 1,3-Dihexyl-5-methyl-1H-indole
Technique GC/MS
Wiley ID DD2024_017501