| SpectraBase Compound ID | B7knoL7XnLx |
|---|---|
| InChI | InChI=1S/C8H6ClNO5/c1-15-8-6(12)2-5(9)4(3-11)7(8)10(13)14/h2-3,12H,1H3 |
| InChIKey | XKRIVONYFBJBQZ-UHFFFAOYSA-N |
| Mol Weight | 231.59 g/mol |
| Molecular Formula | C8H6ClNO5 |
| Exact Mass | 230.99345 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EuOqjj9OIyP |
|---|---|
| Name | 6-Chloro-2-nitrovanillin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.993449992 u |
| Formula | C8H6ClNO5 |
| InChI | InChI=1S/C8H6ClNO5/c1-15-8-6(12)2-5(9)4(3-11)7(8)10(13)14/h2-3,12H,1H3 |
| InChIKey | XKRIVONYFBJBQZ-UHFFFAOYSA-N |
| Molecular Weight | 231.591 g/mol |
| SMILES | OC=1C=C(C(=C(C1OC)[N+](=O)[O-])C=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.98766 |