SpectraBase Spectrum ID |
FeKUky9Z3Hf |
Name |
4-(4-Methyl-1-piperazinyl)benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
204.126263142 u |
Formula |
C12H16N2O |
InChI |
InChI=1S/C12H16N2O/c1-13-6-8-14(9-7-13)12-4-2-11(10-15)3-5-12/h2-5,10H,6-9H2,1H3 |
InChIKey |
PFODEVGLOVUVHS-UHFFFAOYSA-N |
Molecular Weight |
204.273 g/mol |
SMILES |
C(=O)C1=CC=C(C=C1)N1CCN(CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936677 |