| SpectraBase Spectrum ID |
55BQT8bF050 |
| Name |
Phenol, 4-[1-[4-(4-bromophenoxy)phenyl]-1-methylethyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.056842850 u |
| Formula |
C21H19BrO2 |
| InChI |
InChI=1S/C21H19BrO2/c1-21(2,15-3-9-18(23)10-4-15)16-5-11-19(12-6-16)24-20-13-7-17(22)8-14-20/h3-14,23H,1-2H3 |
| InChIKey |
OYNDJJZIMXOQJL-UHFFFAOYSA-N |
| Molecular Weight |
383.285 g/mol |
| SMILES |
C(C1=CC=C(C=C1)O)(C=1C=CC(OC2=CC=C(C=C2)Br)=CC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896486 |