| SpectraBase Spectrum ID |
CLrFMvqx0uo |
| Name |
6,7-Dichloro-3,4-dihydrophenanthrene 1,2-dicarboxylic anhydride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.985049515 u |
| Formula |
C16H8Cl2O3 |
| InChI |
InChI=1S/C16H8Cl2O3/c17-12-5-7-1-2-9-8(11(7)6-13(12)18)3-4-10-14(9)16(20)21-15(10)19/h1-2,5-6H,3-4H2 |
| InChIKey |
TVAHSWVIRUFPOY-UHFFFAOYSA-N |
| Molecular Weight |
319.143 g/mol |
| SMILES |
C12=C3C(C=4C(=O)OC(C4CC3)=O)=CC=C1C=C(C(=C2)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.902117 |
