| SpectraBase Spectrum ID |
2KJ4dRtuU6b |
| Name |
N-(2-Butyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.172878983 u |
| Formula |
C15H23NO2 |
| InChI |
InChI=1S/C15H23NO2/c1-4-11(3)16-13(5-2)8-12-6-7-14-15(9-12)18-10-17-14/h6-7,9,11,13,16H,4-5,8,10H2,1-3H3 |
| InChIKey |
YZXGBLJIWWTQLP-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
C1=2C(=CC(CC(NC(CC)C)CC)=CC2)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944656 |
