SpectraBase Spectrum ID |
CHsLhCWVJrp |
Name |
N-Formyl-4-chloro-2,5-dimethoxyphenylisopropylimine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
255.066221012 u |
Formula |
C12H14ClNO3 |
InChI |
InChI=1S/C12H14ClNO3/c1-8(14-7-15)4-9-5-12(17-3)10(13)6-11(9)16-2/h5-7H,4H2,1-3H3/b14-8+ |
InChIKey |
UPYCLYPMJRBKAB-RIYZIHGNSA-N |
Molecular Weight |
255.701 g/mol |
SMILES |
C=1(C(=CC(=C(C1)OC)Cl)OC)C\C(=N\C=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915033 |