SpectraBase Spectrum ID |
4DBDaG6nFpU |
Name |
5-Ethoxy-6-[1-[4-methylphenyl]ethyl]-1,3-benzodioxole |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
284.141244501 u |
Formula |
C18H20O3 |
InChI |
InChI=1S/C18H20O3/c1-4-19-16-10-18-17(20-11-21-18)9-15(16)13(3)14-7-5-12(2)6-8-14/h5-10,13H,4,11H2,1-3H3 |
InChIKey |
DDMBEBUUSGQWCZ-UHFFFAOYSA-N |
SMILES |
C1(=C(C=C2C(=C1)OCO2)OCC)C(C1=CC=C(C=C1)C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837606 |