| SpectraBase Compound ID | FW5vrGBuWMS |
|---|---|
| InChI | InChI=1S/C7H12ClN/c8-6-4-2-1-3-5-7-9/h1-6H2 |
| InChIKey | FXBITRHTKQZLRX-UHFFFAOYSA-N |
| Mol Weight | 145.63 g/mol |
| Molecular Formula | C7H12ClN |
| Exact Mass | 145.065827 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KTzlaQdiTpU |
|---|---|
| Name | 7-Chloroheptanonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.065827090 u |
| Formula | C7H12ClN |
| InChI | InChI=1S/C7H12ClN/c8-6-4-2-1-3-5-7-9/h1-6H2 |
| InChIKey | FXBITRHTKQZLRX-UHFFFAOYSA-N |
| Molecular Weight | 145.633 g/mol |
| SMILES | C(CCCCCCCl)#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.885111 |