| SpectraBase Compound ID | BXE2dlp8vtS |
|---|---|
| InChI | InChI=1S/C15H9Cl3O2/c16-11-8-13(18)14(9-12(11)17)20-15(19)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+ |
| InChIKey | LQCQJIGTNNLUQP-VOTSOKGWSA-N |
| Mol Weight | 327.59 g/mol |
| Molecular Formula | C15H9Cl3O2 |
| Exact Mass | 325.966813 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9okD66nfwvb |
|---|---|
| Name | 2,4,5-Trichlorophenyl cinnamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.966812628 u |
| Formula | C15H9Cl3O2 |
| InChI | InChI=1S/C15H9Cl3O2/c16-11-8-13(18)14(9-12(11)17)20-15(19)7-6-10-4-2-1-3-5-10/h1-9H/b7-6+ |
| InChIKey | LQCQJIGTNNLUQP-VOTSOKGWSA-N |
| Molecular Weight | 327.594 g/mol |
| SMILES | C1=C(C=CC=C1)\C=C\C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O |