| SpectraBase Compound ID | EFthsEGEFTL |
|---|---|
| InChI | InChI=1S/C16H13NO5/c1-22-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17(20)21)10-15(13)19/h2-10,19H,1H3 |
| InChIKey | ZJRIDVIZQWIFSM-UHFFFAOYSA-N |
| Mol Weight | 299.28 g/mol |
| Molecular Formula | C16H13NO5 |
| Exact Mass | 299.079373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6P9rmi225nP |
|---|---|
| Name | 2'-Hydroxy-2-methoxy-4'-nitrochalcone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.079372518 u |
| Formula | C16H13NO5 |
| InChI | InChI=1S/C16H13NO5/c1-22-16-5-3-2-4-11(16)6-9-14(18)13-8-7-12(17(20)21)10-15(13)19/h2-10,19H,1H3 |
| InChIKey | ZJRIDVIZQWIFSM-UHFFFAOYSA-N |
| SMILES | OC=1C=C(C=CC1C(C=CC=1C=CC=CC1OC)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.75044 |