| SpectraBase Compound ID | AmSmqIE4arB |
|---|---|
| InChI | InChI=1S/C12H8ClNO3/c13-11-8-9(14(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8H |
| InChIKey | ZIDYALDTDUSPFJ-UHFFFAOYSA-N |
| Mol Weight | 249.65 g/mol |
| Molecular Formula | C12H8ClNO3 |
| Exact Mass | 249.019271 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | zN9R8YbXTl |
|---|---|
| Name | Benzene, 2-chloro-4-nitro-1-phenoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.019270819 u |
| Formula | C12H8ClNO3 |
| InChI | InChI=1S/C12H8ClNO3/c13-11-8-9(14(15)16)6-7-12(11)17-10-4-2-1-3-5-10/h1-8H |
| InChIKey | ZIDYALDTDUSPFJ-UHFFFAOYSA-N |
| Molecular Weight | 249.653 g/mol |
| SMILES | C1(=CC=CC=C1)OC1=CC=C(C=C1Cl)[N+]([O-])=O |
| Spectrum/Structure Validation Score (Raman) | 0.91218 |