| SpectraBase Compound ID | 8aUhHf7rJ5t |
|---|---|
| InChI | InChI=1S/C12H17Cl2N/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2 |
| InChIKey | DPGPWVSHZFFFDN-UHFFFAOYSA-N |
| Mol Weight | 246.18 g/mol |
| Molecular Formula | C12H17Cl2N |
| Exact Mass | 245.073805 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DUhbrJgubmq |
|---|---|
| Name | Aniline, N,N-di(3-chloropropyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 245.073804951 u |
| Formula | C12H17Cl2N |
| InChI | InChI=1S/C12H17Cl2N/c13-8-4-10-15(11-5-9-14)12-6-2-1-3-7-12/h1-3,6-7H,4-5,8-11H2 |
| InChIKey | DPGPWVSHZFFFDN-UHFFFAOYSA-N |
| Molecular Weight | 246.181 g/mol |
| SMILES | C1=CC=CC(=C1)N(CCCCl)CCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946709 |