| SpectraBase Spectrum ID |
4mfsfozkICj |
| Name |
(E)-10-Benzylidene-1,5-dichloro-10H-anthracen-9-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
350.026520405 u |
| Formula |
C21H12Cl2O |
| InChI |
InChI=1S/C21H12Cl2O/c22-17-10-5-9-15-19(17)16(12-13-6-2-1-3-7-13)14-8-4-11-18(23)20(14)21(15)24/h1-12H/b16-12+ |
| InChIKey |
XZCJMHUAAXKRCW-FOWTUZBSSA-N |
| Molecular Weight |
351.232 g/mol |
| SMILES |
C=12\C(C3=C(C(C2=C(Cl)C=CC1)=O)C=CC=C3Cl)=C/C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901905 |
