| SpectraBase Spectrum ID |
3mMP3zs2m5V |
| Name |
3-{2',5'-bis[(2''-Methoxyethoxy)methoxy]phenyl}-3-bromopropane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.099101583 u |
| Formula |
C17H27BrO6 |
| InChI |
InChI=1S/C17H27BrO6/c1-4-16(18)15-11-14(23-12-21-9-7-19-2)5-6-17(15)24-13-22-10-8-20-3/h5-6,11,16H,4,7-10,12-13H2,1-3H3 |
| InChIKey |
BUYJPMOUQYHMHK-UHFFFAOYSA-N |
| Molecular Weight |
407.301 g/mol |
| SMILES |
C=1(C(=CC=C(C1)OCOCCOC)OCOCCOC)C(Br)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94349 |
![3-{2',5'-bis[(2''-Methoxyethoxy)methoxy]phenyl}-3-bromopropane](/api/spectrum/3mMP3zs2m5V/structure.png?h=300&w=458 "3-{2',5'-bis[(2''-Methoxyethoxy)methoxy]phenyl}-3-bromopropane")
