| SpectraBase Spectrum ID |
7pTsbaFOEHR |
| Name |
N-iso-Propyl-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 |
349.053873886 u |
| Formula |
C13H20INO2 |
| InChI |
InChI=1S/C13H20INO2/c1-9(2)15-6-5-10-7-13(17-4)11(14)8-12(10)16-3/h7-9,15H,5-6H2,1-4H3 |
| InChIKey |
KSKDFUQJHSVUMI-UHFFFAOYSA-N |
| Molecular Weight |
349.212 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)I)OC)CCNC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879126 |
