| SpectraBase Compound ID | GSo9K0JEMhB |
|---|---|
| InChI | InChI=1S/C16H12ClNO3/c1-11-10-13(6-8-14(11)17)16(19)9-7-12-4-2-3-5-15(12)18(20)21/h2-10H,1H3 |
| InChIKey | GTFZOHPAXLBUJK-UHFFFAOYSA-N |
| Mol Weight | 301.73 g/mol |
| Molecular Formula | C16H12ClNO3 |
| Exact Mass | 301.050571 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | J5CkfnMtmg4 |
|---|---|
| Name | 4'-Chloro-3'-methyl-2-nitrochalcone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.050570947 u |
| Formula | C16H12ClNO3 |
| InChI | InChI=1S/C16H12ClNO3/c1-11-10-13(6-8-14(11)17)16(19)9-7-12-4-2-3-5-15(12)18(20)21/h2-10H,1H3 |
| InChIKey | GTFZOHPAXLBUJK-UHFFFAOYSA-N |
| SMILES | N(=O)(=O)C=1C(=CC=CC1)C=CC(C=1C=C(C(=CC1)Cl)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.938612 |