| SpectraBase Compound ID | 1iBrFqo5kjm |
|---|---|
| InChI | InChI=1S/C8H8ClNO3/c1-5-6(10(11)12)3-4-7(13-2)8(5)9/h3-4H,1-2H3 |
| InChIKey | PYBVRWQLJHXDMG-UHFFFAOYSA-N |
| Mol Weight | 201.61 g/mol |
| Molecular Formula | C8H8ClNO3 |
| Exact Mass | 201.019271 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | SzgGbNq2gi |
|---|---|
| Name | 2-Chloranyl-1-methoxy-3-methyl-4-nitro-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 201.019270819 u |
| Formula | C8H8ClNO3 |
| InChI | InChI=1S/C8H8ClNO3/c1-5-6(10(11)12)3-4-7(13-2)8(5)9/h3-4H,1-2H3 |
| InChIKey | PYBVRWQLJHXDMG-UHFFFAOYSA-N |
| Molecular Weight | 201.609 g/mol |
| SMILES | C=1(N(=O)=O)C(=C(Cl)C(=CC1)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.815177 |