| SpectraBase Spectrum ID |
FmV5uR3w5FM |
| Name |
1,4-Diamino-2-(3,4-dimethoxyphenyl)butane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
224.152477890 u |
| Formula |
C12H20N2O2 |
| InChI |
InChI=1S/C12H20N2O2/c1-15-11-4-3-9(7-12(11)16-2)10(8-14)5-6-13/h3-4,7,10H,5-6,8,13-14H2,1-2H3 |
| InChIKey |
KFBRCSRGYAGAOE-UHFFFAOYSA-N |
| Molecular Weight |
224.304 g/mol |
| SMILES |
C=1C(=CC=C(C1OC)OC)C(CN)CCN |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938802 |
