| SpectraBase Spectrum ID |
In0ckB4Xj2N |
| Name |
1-(2,5-Dimethoxyphenyl)butan-2-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
209.141578854 u |
| Formula |
C12H19NO2 |
| InChI |
InChI=1S/C12H19NO2/c1-4-10(13)7-9-8-11(14-2)5-6-12(9)15-3/h5-6,8,10H,4,7,13H2,1-3H3 |
| InChIKey |
BGWUWDWDTLZQAZ-UHFFFAOYSA-N |
| Molecular Weight |
209.289 g/mol |
| SMILES |
C=1(C(=CC=C(C1)OC)OC)CC(CC)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964684 |
