SpectraBase Spectrum ID |
I4IHMMmcumK |
Name |
3,5-Dimethoxy-4-[(isopropyl)-oxy]-benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.104858991 u |
Formula |
C12H16O4 |
InChI |
InChI=1S/C12H16O4/c1-8(2)16-12-10(14-3)5-9(7-13)6-11(12)15-4/h5-8H,1-4H3 |
InChIKey |
IRMBPRTZZMONBG-UHFFFAOYSA-N |
Molecular Weight |
224.256 g/mol |
SMILES |
C(=O)C1=CC(OC)=C(OC(C)C)C(OC)=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935037 |