| SpectraBase Spectrum ID |
6ltUEstuq1a |
| Name |
Acetic acid [2-hydroxy-2-(8-hydroxy-1-keto-isochromen-4-yl)ethyl] ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
264.063388100 u |
| Formula |
C13H12O6 |
| InChI |
InChI=1S/C13H12O6/c1-7(14)18-6-11(16)9-5-19-13(17)12-8(9)3-2-4-10(12)15/h2-5,11,15-16H,6H2,1H3 |
| InChIKey |
LYNHTSAQKSCWMV-UHFFFAOYSA-N |
| Molecular Weight |
264.233 g/mol |
| SMILES |
C(OC(=O)C)C(C=1C=2C=CC=C(C2C(OC1)=O)O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880864 |
![Acetic acid [2-hydroxy-2-(8-hydroxy-1-keto-isochromen-4-yl)ethyl] ester](/api/spectrum/6ltUEstuq1a/structure.png?h=300&w=458 "Acetic acid [2-hydroxy-2-(8-hydroxy-1-keto-isochromen-4-yl)ethyl] ester")
