![1,3,5-Pentanetrione, 1,5-bis[p-chlorophenyl]-](/api/spectrum/4YHBWgPK0lz/structure.png?h=300&w=458 "1,3,5-Pentanetrione, 1,5-bis[p-chlorophenyl]-")
| SpectraBase Compound ID | 7YWZVWhTiBN |
|---|---|
| InChI | InChI=1S/C17H12Cl2O3/c18-13-5-1-11(2-6-13)16(21)9-15(20)10-17(22)12-3-7-14(19)8-4-12/h1-8H,9-10H2 |
| InChIKey | JVGXKNGROPICAX-UHFFFAOYSA-N |
| Mol Weight | 335.19 g/mol |
| Molecular Formula | C17H12Cl2O3 |
| Exact Mass | 334.01635 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4YHBWgPK0lz |
|---|---|
| Name | 1,3,5-Pentanetrione, 1,5-bis[p-chlorophenyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.016349643 u |
| Formula | C17H12Cl2O3 |
| InChI | InChI=1S/C17H12Cl2O3/c18-13-5-1-11(2-6-13)16(21)9-15(20)10-17(22)12-3-7-14(19)8-4-12/h1-8H,9-10H2 |
| InChIKey | JVGXKNGROPICAX-UHFFFAOYSA-N |
| Molecular Weight | 335.186 g/mol |
| SMILES | C1(Cl)=CC=C(C=C1)C(=O)CC(=O)CC(=O)C=1C=CC(Cl)=CC1 |