| SpectraBase Compound ID | 1LDFgysJX00 |
|---|---|
| InChI | InChI=1S/C8H14ClN/c1-7-5-3-4-6-10(2)8(7)9/h3-6H2,1-2H3 |
| InChIKey | JOHQPBCCQITSQG-UHFFFAOYSA-N |
| Mol Weight | 159.66 g/mol |
| Molecular Formula | C8H14ClN |
| Exact Mass | 159.081477 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6YJBDc8C7TZ |
|---|---|
| Name | 2-Chloro-1,3-dimethyl-4,5,6,7-tetrahydroazepine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.081477155 u |
| Formula | C8H14ClN |
| InChI | InChI=1S/C8H14ClN/c1-7-5-3-4-6-10(2)8(7)9/h3-6H2,1-2H3 |
| InChIKey | JOHQPBCCQITSQG-UHFFFAOYSA-N |
| Molecular Weight | 159.660 g/mol |
| SMILES | C=1(N(CCCCC1C)C)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910203 |