SpectraBase Compound ID | KsolskAkLgg |
---|---|
InChI | InChI=1S/C11H15BrO4/c1-6(13)7-5-8(14-2)10(15-3)11(16-4)9(7)12/h5-6,13H,1-4H3 |
InChIKey | UAZQFKMPZSJWPH-UHFFFAOYSA-N |
Mol Weight | 291.14 g/mol |
Molecular Formula | C11H15BrO4 |
Exact Mass | 290.015372 g/mol |
SpectraBase Spectrum ID | ImV6CnXZLRy |
---|---|
Name | 1-(2-Bromo-3,4,5-trimethoxyphenyl)ethanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 290.015371959 u |
Formula | C11H15BrO4 |
InChI | InChI=1S/C11H15BrO4/c1-6(13)7-5-8(14-2)10(15-3)11(16-4)9(7)12/h5-6,13H,1-4H3 |
InChIKey | UAZQFKMPZSJWPH-UHFFFAOYSA-N |
SMILES | C1(=C(C(=C(C=C1OC)C(C)O)Br)OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.860967 |