| SpectraBase Spectrum ID |
4oRqm6fkrGt |
| Name |
(1R,2R)-1-Phenyl-1-hydroxy-2-(4'-bromo-2'-methoxyphenoxy)propane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.036107404 u |
| Formula |
C16H17BrO3 |
| InChI |
InChI=1S/C16H17BrO3/c1-11(16(18)12-6-4-3-5-7-12)20-14-9-8-13(17)10-15(14)19-2/h3-11,16,18H,1-2H3/t11-,16+/m1/s1 |
| InChIKey |
ZYEOXVQHFGTSDF-BZNIZROVSA-N |
| Molecular Weight |
337.213 g/mol |
| SMILES |
C1(O[C@@]([C@@](C=2C=CC=CC2)(O)[H])(C)[H])=C(C=C(C=C1)Br)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949511 |
