| SpectraBase Compound ID | EEvZwUFN58m |
|---|---|
| InChI | InChI=1S/C8H6ClNO3/c9-5-8(11)6-3-1-2-4-7(6)10(12)13/h1-4H,5H2 |
| InChIKey | GSGZYJVMDUDKFL-UHFFFAOYSA-N |
| Mol Weight | 199.59 g/mol |
| Molecular Formula | C8H6ClNO3 |
| Exact Mass | 199.003621 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JS4LAvjtaNR |
|---|---|
| Name | 2-Chloranyl-1-(2-nitrophenyl)ethanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.003620754 u |
| Formula | C8H6ClNO3 |
| InChI | InChI=1S/C8H6ClNO3/c9-5-8(11)6-3-1-2-4-7(6)10(12)13/h1-4H,5H2 |
| InChIKey | GSGZYJVMDUDKFL-UHFFFAOYSA-N |
| Molecular Weight | 199.593 g/mol |
| SMILES | C(CCl)(=O)C=1C(=CC=CC1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952169 |