SpectraBase Spectrum ID |
JQdi7h4KwY1 |
Name |
Ethylene glycol, o-acetyl-, o'-salicylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
224.068473481 u |
Formula |
C11H12O5 |
InChI |
InChI=1S/C11H12O5/c1-8(12)15-6-7-16-11(14)9-4-2-3-5-10(9)13/h2-5,13H,6-7H2,1H3 |
InChIKey |
MOWWOOBXTGKYPJ-UHFFFAOYSA-N |
Molecular Weight |
224.212 g/mol |
SMILES |
C1=CC=C(C(=C1)C(=O)OCCOC(C)=O)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928494 |