| SpectraBase Spectrum ID |
4cflnxpIrpm |
| Name |
3,6-Dibromo-9,10-bis(4-bromophenyl)phenanthrene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
641.782902451 u |
| Formula |
C26H14Br4 |
| InChI |
InChI=1S/C26H14Br4/c27-17-5-1-15(2-6-17)25-21-11-9-19(29)13-23(21)24-14-20(30)10-12-22(24)26(25)16-3-7-18(28)8-4-16/h1-14H |
| InChIKey |
MLWBAAZILAZOCF-UHFFFAOYSA-N |
| Molecular Weight |
646.014 g/mol |
| SMILES |
C1=C2C(=C(C3=CC=C(C=C3C2=CC(=C1)Br)Br)C=1C=CC(=CC1)Br)C=1C=CC(=CC1)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89532 |
