| SpectraBase Spectrum ID |
7yPjxrtGizM |
| Name |
1-Bromo-2,3,4-tricyclohexyloxybenzene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.176957984 u |
| Formula |
C24H35BrO3 |
| InChI |
InChI=1S/C24H35BrO3/c25-21-16-17-22(26-18-10-4-1-5-11-18)24(28-20-14-8-3-9-15-20)23(21)27-19-12-6-2-7-13-19/h16-20H,1-15H2 |
| InChIKey |
RRDXPBFRKFXBNR-UHFFFAOYSA-N |
| Molecular Weight |
451.445 g/mol |
| SMILES |
C1(=C(OC2CCCCC2)C(Br)=CC=C1OC1CCCCC1)OC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.811734 |
