SpectraBase Spectrum ID |
4fmRFlFPhWF |
Name |
3-Methoxy-4-[3-oxo-3-(pyrrolidin-1-yl)propoxy]benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
277.131408092 u |
Formula |
C15H19NO4 |
InChI |
InChI=1S/C15H19NO4/c1-19-14-10-12(11-17)4-5-13(14)20-9-6-15(18)16-7-2-3-8-16/h4-5,10-11H,2-3,6-9H2,1H3 |
InChIKey |
UTZRLJZGWANZKO-UHFFFAOYSA-N |
Molecular Weight |
277.320 g/mol |
SMILES |
C(COC1=CC=C(C=C1OC)C=O)C(N1CCCC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965724 |