| SpectraBase Compound ID | COMhJf340Hf |
|---|---|
| InChI | InChI=1S/C8H8N2.Cl/c9-8-7-4-2-1-3-6(7)5-10-8;/h1-4H,5H2,(H2,9,10); |
| InChIKey | TZYPDSQELZAKAG-UHFFFAOYSA-N |
| Mol Weight | 167.62 g/mol |
| Molecular Formula | C8H8ClN2 |
| Exact Mass | 167.037601 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | MA3TmAFCcZ |
|---|---|
| Name | 3-Amino-1H-isoindole hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.037600966 u |
| Formula | C8H8ClN2 |
| InChI | InChI=1S/C8H8N2.Cl/c9-8-7-4-2-1-3-6(7)5-10-8;/h1-4H,5H2,(H2,9,10); |
| InChIKey | TZYPDSQELZAKAG-UHFFFAOYSA-N |
| Molecular Weight | 167.619 g/mol |
| Nominal Mass | 167 u |
| SMILES | C1(N)=NCC2=CC=CC=C12.[Cl] |
| Spectrum/Structure Validation Score (Raman) | 0.9551 |