| SpectraBase Spectrum ID |
BNzru3AQKok |
| Name |
N-Isobutyl-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/c1-4-13(16-9-11(2)3)7-12-5-6-14-15(8-12)18-10-17-14/h5-6,8,11,13,16H,4,7,9-10H2,1-3H3 |
| InChIKey |
GXZQCIHSIFOVRV-UHFFFAOYSA-N |
| Molecular Weight |
249.354 g/mol |
| SMILES |
C1=2C(=CC=C(C2)CC(NCC(C)C)CC)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912499 |
