| SpectraBase Spectrum ID |
BQT3BFKn32H |
| Name |
1,3-bis(Methylcyclohexylaminomethyl)-2-bromobenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948055 |
