| SpectraBase Compound ID | AdqwrSm0LPs |
|---|---|
| InChI | InChI=1S/C8H8ClNO3/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,5H2,1H3 |
| InChIKey | DKRYRFRNGLTDMB-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 | 5zgl4sDoW4d |
|---|---|
| Name | Benzene, 4-(chloromethyl)-1-methoxy-2-nitro- |
| 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/c1-13-8-3-2-6(5-9)4-7(8)10(11)12/h2-4H,5H2,1H3 |
| InChIKey | DKRYRFRNGLTDMB-UHFFFAOYSA-N |
| Molecular Weight | 201.609 g/mol |
| SMILES | C1(OC)=CC=C(C=C1N(=O)=O)CCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969634 |