| SpectraBase Compound ID | J2FmRMwwDns |
|---|---|
| InChI | InChI=1S/C13H25ClO/c1-2-13(15)11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3 |
| InChIKey | VADGIVGMGOHLIJ-UHFFFAOYSA-N |
| Mol Weight | 232.79 g/mol |
| Molecular Formula | C13H25ClO |
| Exact Mass | 232.159393 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8CpPphI0T90 |
|---|---|
| Name | 13-Chloro-3-tridecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.159393124 u |
| Formula | C13H25ClO |
| InChI | InChI=1S/C13H25ClO/c1-2-13(15)11-9-7-5-3-4-6-8-10-12-14/h2-12H2,1H3 |
| InChIKey | VADGIVGMGOHLIJ-UHFFFAOYSA-N |
| Molecular Weight | 232.795 g/mol |
| SMILES | C(CCCCCl)CCCCCC(CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90704 |