| SpectraBase Spectrum ID |
C6kPSCFUjR2 |
| Name |
1,2-bis(p-Methoxyphenyl)-3,3-bis(p-bromophenyl)cyclopent-5(1)-ene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
588.029956075 u |
| Formula |
C31H26Br2O2 |
| InChI |
InChI=1S/C31H26Br2O2/c1-34-27-15-3-21(4-16-27)29-19-20-31(23-7-11-25(32)12-8-23,24-9-13-26(33)14-10-24)30(29)22-5-17-28(35-2)18-6-22/h3-19,30H,20H2,1-2H3 |
| InChIKey |
WBYTUIGNFQSOKE-UHFFFAOYSA-N |
| Molecular Weight |
590.355 g/mol |
| SMILES |
C1(C(CC=C1C=1C=CC(=CC1)OC)(C1=CC=C(C=C1)Br)C=1C=CC(=CC1)Br)C1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917987 |
