SpectraBase Spectrum ID |
1oDj0ma4ZpT |
Name |
Acetic acid, o-hydroxyphenyl-, |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
304.094688229 u |
Formula |
C16H16O6 |
InChI |
InChI=1S/C8H8O3.C8H6O2.H2O/c9-7-4-2-1-3-6(7)5-8(10)11;9-8-5-6-3-1-2-4-7(6)10-8;/h1-4,9H,5H2,(H,10,11);1-4H,5H2;1H2 |
InChIKey |
QOVYMAWCYYWVSI-UHFFFAOYSA-N |
Molecular Weight |
304.298 g/mol |
Nominal Mass |
304 u |
SMILES |
OC1=CC=CC=C1CC(=O)O.O.C1(=O)OC2=C(C=CC=C2)C1 |
Spectrum/Structure Validation Score (Raman) |
0.937507 |