SpectraBase Compound ID | 8iIsI8Kpp5o |
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InChI | InChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2 |
InChIKey | LISGMSBYRAXPJH-UHFFFAOYSA-N |
Mol Weight | 231.13 g/mol |
Molecular Formula | C10H12Cl2N2 |
Exact Mass | 230.037754 g/mol |
SpectraBase Spectrum ID | 7zzBsI576zh |
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Name | 1-(3,5-Dichloro-phenyl)-piperazine |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 230.037753794 u |
Formula | C10H12Cl2N2 |
InChI | InChI=1S/C10H12Cl2N2/c11-8-5-9(12)7-10(6-8)14-3-1-13-2-4-14/h5-7,13H,1-4H2 |
InChIKey | LISGMSBYRAXPJH-UHFFFAOYSA-N |
Molecular Weight | 231.126 g/mol |
SMILES | C1N(CCNC1)C1=CC(=CC(=C1)Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.87463 |