| SpectraBase Spectrum ID |
FIYfLyeJMPa |
| Name |
1-(Bromomethyl)-2-[6-(bromomethyl)-2,3,4-trimethoxy-phenyl]-3,4,5-trimethoxy-benzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
517.993964487 u |
| Formula |
C20H24Br2O6 |
| InChI |
InChI=1S/C20H24Br2O6/c1-23-13-7-11(9-21)15(19(27-5)17(13)25-3)16-12(10-22)8-14(24-2)18(26-4)20(16)28-6/h7-8H,9-10H2,1-6H3 |
| InChIKey |
RIVCZFYZPWGRAJ-UHFFFAOYSA-N |
| Molecular Weight |
520.214 g/mol |
| SMILES |
C=1(C=2C(=C(OC)C(=CC2CBr)OC)OC)C(=C(OC)C(=CC1CBr)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925315 |
![1-(Bromomethyl)-2-[6-(bromomethyl)-2,3,4-trimethoxy-phenyl]-3,4,5-trimethoxy-benzene](/api/spectrum/FIYfLyeJMPa/structure.png?h=300&w=458 "1-(Bromomethyl)-2-[6-(bromomethyl)-2,3,4-trimethoxy-phenyl]-3,4,5-trimethoxy-benzene")
