| SpectraBase Compound ID | JS0sV6Txe6y |
|---|---|
| InChI | InChI=1S/C6H7N.C2HCl3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,7H2;(H,6,7) |
| InChIKey | SVAZOONLLJSQPP-UHFFFAOYSA-N |
| Mol Weight | 256.52 g/mol |
| Molecular Formula | C8H8Cl3NO2 |
| Exact Mass | 254.962062 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | Hkf2pz4r42K |
|---|---|
| Name | Aniline, trichloroacetate (salt) |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.962061600 u |
| Formula | C8H8Cl3NO2 |
| InChI | InChI=1S/C6H7N.C2HCl3O2/c7-6-4-2-1-3-5-6;3-2(4,5)1(6)7/h1-5H,7H2;(H,6,7) |
| InChIKey | SVAZOONLLJSQPP-UHFFFAOYSA-N |
| Molecular Weight | 256.516 g/mol |
| SMILES | NC1=CC=CC=C1.OC(C(Cl)(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.949784 |