SpectraBase Spectrum ID |
48Q9mMPZGUb |
Name |
3-[2-(1,3-Dioxolan-2-yl)-4-methoxy-phenoxy]benzaldehyde |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
300.099773610 u |
Formula |
C17H16O5 |
InChI |
InChI=1S/C17H16O5/c1-19-13-5-6-16(15(10-13)17-20-7-8-21-17)22-14-4-2-3-12(9-14)11-18/h2-6,9-11,17H,7-8H2,1H3 |
InChIKey |
ORFYOILZAHVSHI-UHFFFAOYSA-N |
SMILES |
C=1(C(OC2=CC(C=O)=CC=C2)=CC=C(C1)OC)C1OCCO1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85706 |