| SpectraBase Compound ID | o4i3VLDVn5 |
|---|---|
| InChI | InChI=1S/C9H6ClNO3/c10-9(5-6-12)7-1-3-8(4-2-7)11(13)14/h1-6H |
| InChIKey | KVPVZOJJVXTLKN-UHFFFAOYSA-N |
| Mol Weight | 211.6 g/mol |
| Molecular Formula | C9H6ClNO3 |
| Exact Mass | 211.003621 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HZ7qdEROD6U |
|---|---|
| Name | beta-Chloro-p-nitrocinnamaldehyde |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.003620754 u |
| Formula | C9H6ClNO3 |
| InChI | InChI=1S/C9H6ClNO3/c10-9(5-6-12)7-1-3-8(4-2-7)11(13)14/h1-6H |
| InChIKey | KVPVZOJJVXTLKN-UHFFFAOYSA-N |
| Molecular Weight | 211.604 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1)C(=CC=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.812176 |