| SpectraBase Spectrum ID |
FD7yg80Pi4n |
| Name |
2,4-Dihydroxy-3-methylbenzaldehyde diacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
236.068473481 u |
| Formula |
C12H12O5 |
| InChI |
InChI=1S/C12H12O5/c1-7-11(16-8(2)14)5-4-10(6-13)12(7)17-9(3)15/h4-6H,1-3H3 |
| InChIKey |
CGZMUVUXZVNZHT-UHFFFAOYSA-N |
| Molecular Weight |
236.223 g/mol |
| SMILES |
C1(OC(C)=O)=C(C(=CC=C1C=O)OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959107 |
