| SpectraBase Spectrum ID |
B3GQOKkAUbJ |
| Name |
2,3-bis-(2'-Chloroprop-2'-enyl)-9-hydroxyanthracene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.031999708 u |
| Formula |
C20H14Cl2O3 |
| InChI |
InChI=1S/C20H14Cl2O3/c1-10(21)7-14-15(8-11(2)22)20(25)17-16(18(14)23)9-12-5-3-4-6-13(12)19(17)24/h3-6,9,24H,1-2,7-8H2 |
| InChIKey |
RUMWKYGLMFKFMY-UHFFFAOYSA-N |
| Molecular Weight |
373.235 g/mol |
| SMILES |
C1(=O)C=2C(C(C(=C1CC(=C)Cl)CC(=C)Cl)=O)=CC1=C(C2O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969497 |
