| SpectraBase Compound ID | LrFOPaU1teZ |
|---|---|
| InChI | InChI=1S/C8H12ClN3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5,8,11-12H,10H2,1H3 |
| InChIKey | HBHFSNQZJAFILH-UHFFFAOYSA-N |
| Mol Weight | 185.66 g/mol |
| Molecular Formula | C8H12ClN3 |
| Exact Mass | 185.071975 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 33QxONx4JqL |
|---|---|
| Name | Chlorhexidine-artifact 2 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.071975098 u |
| Formula | C8H12ClN3 |
| InChI | InChI=1S/C8H12ClN3/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5,8,11-12H,10H2,1H3 |
| InChIKey | HBHFSNQZJAFILH-UHFFFAOYSA-N |
| SMILES | N(c1ccc(Cl)cc1)C(N)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.855426 |