| SpectraBase Compound ID | 19jFKjPPZlX |
|---|---|
| InChI | InChI=1S/C7H8N2O2.Cl/c8-5-6-3-1-2-4-7(6)9(10)11;/h1-4H,5,8H2; |
| InChIKey | QNJXLOZGENNYIK-UHFFFAOYSA-N |
| Mol Weight | 187.61 g/mol |
| Molecular Formula | C7H8ClN2O2 |
| Exact Mass | 187.02743 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 3VYAr5RHviM |
|---|---|
| Name | 2-Nitrobenzylamine hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.027430204 u |
| Formula | C7H8ClN2O2 |
| InChI | InChI=1S/C7H8N2O2.Cl/c8-5-6-3-1-2-4-7(6)9(10)11;/h1-4H,5,8H2; |
| InChIKey | QNJXLOZGENNYIK-UHFFFAOYSA-N |
| Molecular Weight | 187.606 g/mol |
| Nominal Mass | 187 u |
| SMILES | C1([N+](=O)[O-])=C(CN)C=CC=C1.[Cl] |
| Spectrum/Structure Validation Score (Raman) | 0.953559 |