| SpectraBase Spectrum ID |
BF0GX6MnjC5 |
| Name |
1,4-Cyclohexanediamine, N4-[(4-ethylphenyl)methyl]-2,6-bis(1-methylethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.287849167 u |
| Formula |
C21H36N2 |
| InChI |
InChI=1S/C21H36N2/c1-6-16-7-9-17(10-8-16)13-23-18-11-19(14(2)3)21(22)20(12-18)15(4)5/h7-10,14-15,18-21,23H,6,11-13,22H2,1-5H3 |
| InChIKey |
KTLZYAWHLQSCNY-UHFFFAOYSA-N |
| SMILES |
N(CC1=CC=C(C=C1)CC)C1CC(C(C(C1)C(C)C)N)C(C)C |
| Spectrum/Structure Validation Score (Raman) |
0.960329 |
![1,4-Cyclohexanediamine, N4-[(4-ethylphenyl)methyl]-2,6-bis(1-methylethyl)-](/api/spectrum/BF0GX6MnjC5/structure.png?h=300&w=458 "1,4-Cyclohexanediamine, N4-[(4-ethylphenyl)methyl]-2,6-bis(1-methylethyl)-")
