SpectraBase Spectrum ID |
JwsUtWNyGrj |
Name |
5-[2-(4-Hydroxy-3-methoxyphenyl)ethyl]benzene-1,3-diol, trimethyl ether |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
302.151809184 u |
Formula |
C18H22O4 |
InChI |
InChI=1S/C18H22O4/c1-19-15-9-14(10-16(12-15)20-2)6-5-13-7-8-17(21-3)18(11-13)22-4/h7-12H,5-6H2,1-4H3 |
InChIKey |
HCRRYKYLZWKBBM-UHFFFAOYSA-N |
SMILES |
C1(OC)=CC(=CC(CCC2=CC(=C(C=C2)OC)OC)=C1)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956727 |