| SpectraBase Spectrum ID |
uyQWwezksp |
| Name |
Benzo[H]dinaphtho[2,1-B:1',2'-D][1,6]dioxecin, 15,18-dibromo-4,9-dihydro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
543.967355818 u |
| Formula |
C28H18Br2O2 |
| InChI |
InChI=1S/C28H18Br2O2/c29-21-9-5-17-7-11-25-27(23(17)13-21)28-24-14-22(30)10-6-18(24)8-12-26(28)32-16-20-4-2-1-3-19(20)15-31-25/h1-14H,15-16H2 |
| InChIKey |
ZNBFNXBNPYVHNF-UHFFFAOYSA-N |
| Molecular Weight |
546.258 g/mol |
| SMILES |
C1=2C(=CC=C(C2)Br)C=CC2=C1C1=C(C=CC=3C1=CC(Br)=CC3)OCC=1C(CO2)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924728 |