| SpectraBase Compound ID | HOHWcBfNRCq |
|---|---|
| InChI | InChI=1S/C14H27ClO/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13H,3-12H2,1-2H3 |
| InChIKey | GLWIPDUBCBIQTR-UHFFFAOYSA-N |
| Mol Weight | 246.82 g/mol |
| Molecular Formula | C14H27ClO |
| Exact Mass | 246.175043 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4AvT3Nf7qQe |
|---|---|
| Name | 8-Chlorotetradecan-7-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.175043188 u |
| Formula | C14H27ClO |
| InChI | InChI=1S/C14H27ClO/c1-3-5-7-9-11-13(15)14(16)12-10-8-6-4-2/h13H,3-12H2,1-2H3 |
| InChIKey | GLWIPDUBCBIQTR-UHFFFAOYSA-N |
| Molecular Weight | 246.822 g/mol |
| SMILES | CCCCCCC(C(CCCCCC)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948539 |