SpectraBase Compound ID | BWCfuCuywZy |
---|---|
InChI | InChI=1S/C13H16O6/c1-7-6-10(18-8(2)14)12(16-4)13(17-5)11(7)19-9(3)15/h6H,1-5H3 |
InChIKey | GLRSUPHADHFHDP-UHFFFAOYSA-N |
Mol Weight | 268.26 g/mol |
Molecular Formula | C13H16O6 |
Exact Mass | 268.094688 g/mol |
SpectraBase Spectrum ID | Fo4Ayl9VCyH |
---|---|
Name | 2,3-Dimethoxy-5-methylhydroquinone, o,o'-diacetate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 268.094688229 u |
Formula | C13H16O6 |
InChI | InChI=1S/C13H16O6/c1-7-6-10(18-8(2)14)12(16-4)13(17-5)11(7)19-9(3)15/h6H,1-5H3 |
InChIKey | GLRSUPHADHFHDP-UHFFFAOYSA-N |
SMILES | C1(OC(=O)C)=C(C)C=C(OC(=O)C)C(OC)=C1OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922348 |