| SpectraBase Compound ID | 9M8tfGfqJAk |
|---|---|
| InChI | InChI=1S/C7H7ClFN/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,10H2,1H3 |
| InChIKey | XAWVQZWQSQZGOG-UHFFFAOYSA-N |
| Mol Weight | 159.59 g/mol |
| Molecular Formula | C7H7ClFN |
| Exact Mass | 159.025105 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4VudP6Wz7sH |
|---|---|
| Name | 2-Chloro-4-fluoro-3-methylaniline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.025105092 u |
| Formula | C7H7ClFN |
| InChI | InChI=1S/C7H7ClFN/c1-4-5(9)2-3-6(10)7(4)8/h2-3H,10H2,1H3 |
| InChIKey | XAWVQZWQSQZGOG-UHFFFAOYSA-N |
| Molecular Weight | 159.591 g/mol |
| SMILES | CC1=C(F)C=CC(N)=C1Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868081 |