SpectraBase Spectrum ID |
7H99DtWymIJ |
Name |
6-[1-[4-Ethoxyphenyl]ethyl]-1,3-benzodioxol-5-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
286.120509056 u |
Formula |
C17H18O4 |
InChI |
InChI=1S/C17H18O4/c1-3-19-13-6-4-12(5-7-13)11(2)14-8-16-17(9-15(14)18)21-10-20-16/h4-9,11,18H,3,10H2,1-2H3 |
InChIKey |
NYIJGHXLXKNTQR-UHFFFAOYSA-N |
SMILES |
C1=C(C(=CC2=C1OCO2)O)C(C)C1=CC=C(C=C1)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.876209 |