| SpectraBase Spectrum ID |
3TvjWh8zpFX |
| Name |
N-Methyl-2,5-dimethoxy-4-iodo-phenylisopropylketimine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.022573757 u |
| Formula |
C12H16INO2 |
| InChI |
InChI=1S/C12H16INO2/c1-8(14-2)5-9-6-12(16-4)10(13)7-11(9)15-3/h6-7H,5H2,1-4H3/b14-8+ |
| InChIKey |
HSFXCMTYXRAKCM-RIYZIHGNSA-N |
| Molecular Weight |
333.169 g/mol |
| SMILES |
C=1(C(=CC(=C(C1)OC)I)OC)C\C(=N\C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927216 |
