| SpectraBase Compound ID | F8zqSH12A9M |
|---|---|
| InChI | InChI=1S/C8H11N.ClH/c1-6-3-4-7(2)8(9)5-6;/h3-5H,9H2,1-2H3;1H |
| InChIKey | XMHFVPVDKGNKPL-UHFFFAOYSA-N |
| Mol Weight | 157.64 g/mol |
| Molecular Formula | C8H12ClN |
| Exact Mass | 157.065827 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ICmZyEvX29R |
|---|---|
| Name | 2,5-Xylidine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.065827090 u |
| Formula | C8H12ClN |
| InChI | InChI=1S/C8H11N.ClH/c1-6-3-4-7(2)8(9)5-6;/h3-5H,9H2,1-2H3;1H |
| InChIKey | XMHFVPVDKGNKPL-UHFFFAOYSA-N |
| Molecular Weight | 157.644 g/mol |
| SMILES | Cl.NC1=C(C=CC(=C1)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.967436 |