SpectraBase Spectrum ID |
5FOurW0VQSX |
Name |
9-(3,4-Dimethoxyphenyl)-1-[4-(methoxymethoxy)phenyl]-1-nonanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
414.240624190 u |
Formula |
C25H34O5 |
InChI |
InChI=1S/C25H34O5/c1-27-19-30-22-15-13-21(14-16-22)23(26)11-9-7-5-4-6-8-10-20-12-17-24(28-2)25(18-20)29-3/h12-18H,4-11,19H2,1-3H3 |
InChIKey |
FMIUCKPDUZKSOI-UHFFFAOYSA-N |
Molecular Weight |
414.542 g/mol |
SMILES |
C(CCCCCCCCC=1C=C(C(=CC1)OC)OC)(=O)C=1C=CC(=CC1)OCOC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.92582 |