| SpectraBase Spectrum ID |
8Jn6UGAZR5Z |
| Name |
5,6-bis(4-Chlorophenyl)pyrano[2,3,4-de]-1-benzopyran-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.016349643 u |
| Formula |
C23H12Cl2O3 |
| InChI |
InChI=1S/C23H12Cl2O3/c24-15-8-4-13(5-9-15)21-17-2-1-3-18-22(17)19(12-20(26)27-18)28-23(21)14-6-10-16(25)11-7-14/h1-12H |
| InChIKey |
YFIFTDMRYMMLIR-UHFFFAOYSA-N |
| Molecular Weight |
407.252 g/mol |
| SMILES |
C=1C=2C(C3=CC=C(C=C3)Cl)=C(C3=CC=C(C=C3)Cl)OC3=CC(OC(=CC1)C23)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81744 |
![5,6-Bis(4-chlorophenyl)pyrano[2,3,4-de]-1-benzopyran-2-one](/api/spectrum/8Jn6UGAZR5Z/structure.png?h=300&w=458 "5,6-Bis(4-chlorophenyl)pyrano[2,3,4-de]-1-benzopyran-2-one")
