| SpectraBase Spectrum ID |
HRAlkvAadXF |
| Name |
1-[2'-Hydroxy-3',4'-(methylenedioxy)-5'-methoxyphenyl}-2-(2''-bromo-5''-benzyloxy)-ethane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
456.057236771 u |
| Formula |
C23H21BrO5 |
| InChI |
InChI=1S/C23H21BrO5/c1-26-20-12-17(21(25)23-22(20)28-14-29-23)8-7-16-11-18(9-10-19(16)24)27-13-15-5-3-2-4-6-15/h2-6,9-12,25H,7-8,13-14H2,1H3 |
| InChIKey |
DBLVPXYRLVCCJY-UHFFFAOYSA-N |
| Molecular Weight |
457.320 g/mol |
| SMILES |
C1=2C(=C(C=C(C2O)CCC=2C(=CC=C(C2)OCC=2C=CC=CC2)Br)OC)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942257 |
