| SpectraBase Compound ID | 1VjFWZgLR2Z |
|---|---|
| InChI | InChI=1S/C12H8ClNO3/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H |
| InChIKey | YRXPWHHZVCKCLN-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 | 8TFzxTrhPSE |
|---|---|
| Name | o-Chlorophenyl p-nitrophenyl ether |
| 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/c13-11-3-1-2-4-12(11)17-10-7-5-9(6-8-10)14(15)16/h1-8H |
| InChIKey | YRXPWHHZVCKCLN-UHFFFAOYSA-N |
| Molecular Weight | 249.653 g/mol |
| SMILES | C=1(Cl)C=CC=CC1OC=1C=CC(=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.869733 |