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

*Links on SpectraBase are not permalinks.

1,3-bis(Methylcyclohexylaminomethyl)-2-bromobenzene

View entire compound with spectra: 1 NMR, and 1 FTIR

1,3-bis(Methylcyclohexylaminomethyl)-2-bromobenzene
SpectraBase Compound ID 4U2APPujqTM
InChI InChI=1S/C22H35BrN2/c1-24(20-12-5-3-6-13-20)16-18-10-9-11-19(22(18)23)17-25(2)21-14-7-4-8-15-21/h9-11,20-21H,3-8,12-17H2,1-2H3
InChIKey YCKJGFGUOFDMMI-UHFFFAOYSA-N
Mol Weight 407.4 g/mol
Molecular Formula C22H35BrN2
Exact Mass 406.198362 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Lh8hhmb5s9t
Name 1,3-bis(Methylcyclohexylaminomethyl)-2-bromobenzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.198362135 u
Formula C22H35BrN2
InChI InChI=1S/C22H35BrN2/c1-24(20-12-5-3-6-13-20)16-18-10-9-11-19(22(18)23)17-25(2)21-14-7-4-8-15-21/h9-11,20-21H,3-8,12-17H2,1-2H3
InChIKey YCKJGFGUOFDMMI-UHFFFAOYSA-N
Molecular Weight 407.440 g/mol
SMILES C1(=C(C=CC=C1CN(C1CCCCC1)C)CN(C1CCCCC1)C)Br