| SpectraBase Compound ID | 4sVFF3yROhu |
|---|---|
| InChI | InChI=1S/C10H19ClO/c1-3-9(2)7-10(8-12)5-4-6-11/h8-10H,3-7H2,1-2H3 |
| InChIKey | KSDJDAABWRKXIO-UHFFFAOYSA-N |
| Mol Weight | 190.71 g/mol |
| Molecular Formula | C10H19ClO |
| Exact Mass | 190.112443 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7nZSHtHwOYF |
|---|---|
| Name | 2-(3-Chloropropyl)-4-methylhexanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.112442931 u |
| Formula | C10H19ClO |
| InChI | InChI=1S/C10H19ClO/c1-3-9(2)7-10(8-12)5-4-6-11/h8-10H,3-7H2,1-2H3 |
| InChIKey | KSDJDAABWRKXIO-UHFFFAOYSA-N |
| Molecular Weight | 190.714 g/mol |
| SMILES | C(=O)C(CC(CC)C)CCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.876296 |