SpectraBase Spectrum ID |
2EQDPBSAmQ3 |
Name |
Ethanone, 1-[4-hydroxy-3-(2-hydroxyethyl)phenyl]-, dimethyl ether |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
208.109944372 u |
Formula |
C12H16O3 |
InChI |
InChI=1S/C12H16O3/c1-9(13)10-4-5-12(15-3)11(8-10)6-7-14-2/h4-5,8H,6-7H2,1-3H3 |
InChIKey |
BBULAUSKVPQMJE-UHFFFAOYSA-N |
Molecular Weight |
208.257 g/mol |
SMILES |
C(C)(C1=CC(=C(C=C1)OC)CCOC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950062 |