| SpectraBase Compound ID | Eh7iy8bOLFM |
|---|---|
| InChI | InChI=1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H |
| InChIKey | ZQDSOUPBYJIPNM-UHFFFAOYSA-N |
| Mol Weight | 198.14 g/mol |
| Molecular Formula | C8H17Cl2N |
| Exact Mass | 197.073805 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4yl80KG63Rd |
|---|---|
| Name | 1-(2-Chloroethyl)hexahydro-1H-azepine, hydrochloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.073804951 u |
| Formula | C8H17Cl2N |
| InChI | InChI=1S/C8H16ClN.ClH/c9-5-8-10-6-3-1-2-4-7-10;/h1-8H2;1H |
| InChIKey | ZQDSOUPBYJIPNM-UHFFFAOYSA-N |
| Molecular Weight | 198.137 g/mol |
| SMILES | Cl.C1CCCN(CC1)CCCl |
| Spectrum/Structure Validation Score (Raman) | 0.964926 |