| SpectraBase Compound ID | 5a6SOWRmzDO |
|---|---|
| InChI | InChI=1S/C7H6ClNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3 |
| InChIKey | QTIDRIQSPAELJC-UHFFFAOYSA-N |
| Mol Weight | 187.58 g/mol |
| Molecular Formula | C7H6ClNO3 |
| Exact Mass | 187.003621 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HnM7Rxk5phb |
|---|---|
| Name | 3-Chloro-4-nitroanisole |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.003620754 u |
| Formula | C7H6ClNO3 |
| InChI | InChI=1S/C7H6ClNO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3 |
| InChIKey | QTIDRIQSPAELJC-UHFFFAOYSA-N |
| Molecular Weight | 187.582 g/mol |
| SMILES | N(=O)(=O)C1=CC=C(C=C1Cl)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.848064 |