SpectraBase Spectrum ID |
GJwfu6FNDaM |
Name |
5-(3-Hydroxypropyl)-2,3-dimethoxyphenol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
212.104858991 u |
Formula |
C11H16O4 |
InChI |
InChI=1S/C11H16O4/c1-14-10-7-8(4-3-5-12)6-9(13)11(10)15-2/h6-7,12-13H,3-5H2,1-2H3 |
InChIKey |
KULKGPSLJYNYLG-UHFFFAOYSA-N |
Molecular Weight |
212.245 g/mol |
SMILES |
C1(=CC(=C(C(=C1)OC)OC)O)CCCO |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9252 |