| SpectraBase Spectrum ID |
4x96U6MWpcf |
| Name |
N,N-Dihexyl-2,5-dimethoxy-4-iodophenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
475.194724466 u |
| Formula |
C22H38INO2 |
| InChI |
InChI=1S/C22H38INO2/c1-5-7-9-11-14-24(15-12-10-8-6-2)16-13-19-17-22(26-4)20(23)18-21(19)25-3/h17-18H,5-16H2,1-4H3 |
| InChIKey |
BPAVSIVYLWQUCP-UHFFFAOYSA-N |
| Molecular Weight |
475.455 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)I)OC)CCN(CCCCCC)CCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.891218 |
