SpectraBase Spectrum ID |
Dtk9P3FcV3m |
Name |
Benzeneethanol, .beta.,4-dihydroxy-3-ethoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
198.089208927 u |
Formula |
C10H14O4 |
InChI |
InChI=1S/C10H14O4/c1-2-14-10-5-7(9(13)6-11)3-4-8(10)12/h3-5,9,11-13H,2,6H2,1H3 |
InChIKey |
PFAULTZUGAWNOG-UHFFFAOYSA-N |
Molecular Weight |
198.218 g/mol |
SMILES |
C1=C(C=C(C(=C1)O)OCC)C(CO)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95746 |