![1-[2'-Nitro-1'-nitrosoethyl]-4-chlorobenzene](/api/spectrum/4ieR0l0ss9R/structure.png?h=300&w=458 "1-[2'-Nitro-1'-nitrosoethyl]-4-chlorobenzene")
| SpectraBase Compound ID | KKCDDrT8Yjx |
|---|---|
| InChI | InChI=1S/C8H7ClN2O3/c9-7-3-1-6(2-4-7)8(10-12)5-11(13)14/h1-4,8H,5H2 |
| InChIKey | XZFIVGPTJMUKOM-UHFFFAOYSA-N |
| Mol Weight | 214.61 g/mol |
| Molecular Formula | C8H7ClN2O3 |
| Exact Mass | 214.01452 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4ieR0l0ss9R |
|---|---|
| Name | 1-[2'-Nitro-1'-nitrosoethyl]-4-chlorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.014519790 u |
| Formula | C8H7ClN2O3 |
| InChI | InChI=1S/C8H7ClN2O3/c9-7-3-1-6(2-4-7)8(10-12)5-11(13)14/h1-4,8H,5H2 |
| InChIKey | XZFIVGPTJMUKOM-UHFFFAOYSA-N |
| Molecular Weight | 214.608 g/mol |
| SMILES | C(N(=O)=O)C(N=O)C1=CC=C(C=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.800453 |