| SpectraBase Compound ID | 2MpKIvGCAJE |
|---|---|
| InChI | InChI=1S/C8H9ClN2O3.ClH/c1-4-7(11(12)13)5(9)3-6(10)8(4)14-2;/h3H,10H2,1-2H3;1H |
| InChIKey | KYINXMHIFAVHHD-UHFFFAOYSA-N |
| Mol Weight | 253.09 g/mol |
| Molecular Formula | C8H10Cl2N2O3 |
| Exact Mass | 252.006848 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HavTAYLbj0B |
|---|---|
| Name | 5-Chloro-3-methyl-4-nitro-o-anisidine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.006847587 u |
| Formula | C8H10Cl2N2O3 |
| InChI | InChI=1S/C8H9ClN2O3.ClH/c1-4-7(11(12)13)5(9)3-6(10)8(4)14-2;/h3H,10H2,1-2H3;1H |
| InChIKey | KYINXMHIFAVHHD-UHFFFAOYSA-N |
| SMILES | Cl.NC1=CC(=C(C(=C1OC)C)N(=O)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.901174 |