| SpectraBase Compound ID | 1dmGGf7BMFI |
|---|---|
| InChI | InChI=1S/C6H2Cl3NO3/c7-2-1-3(8)6(11)5(4(2)9)10(12)13/h1,11H |
| InChIKey | XWLBYVXDCGYXGY-UHFFFAOYSA-N |
| Mol Weight | 242.44 g/mol |
| Molecular Formula | C6H2Cl3NO3 |
| Exact Mass | 240.910026 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | I0DCgbmlHX2 |
|---|---|
| Name | Phenol, 2-nitro-3,4,6-trichloro- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.910026025 u |
| Formula | C6H2Cl3NO3 |
| InChI | InChI=1S/C6H2Cl3NO3/c7-2-1-3(8)6(11)5(4(2)9)10(12)13/h1,11H |
| InChIKey | XWLBYVXDCGYXGY-UHFFFAOYSA-N |
| Molecular Weight | 242.445 g/mol |
| SMILES | C1=C(C(=C(C(=C1Cl)O)N(=O)=O)Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801227 |