| SpectraBase Compound ID | Jg5UYIgchw2 |
|---|---|
| InChI | InChI=1S/C14H26O/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)12-13/h13H,2-12H2,1H3/t13-/m1/s1 |
| InChIKey | CVMWCRDXSQGRSJ-CYBMUJFWSA-N |
| Mol Weight | 210.36 g/mol |
| Molecular Formula | C14H26O |
| Exact Mass | 210.198365 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4bfVaTaQn6T |
|---|---|
| Name | (3R)-3-Methyl-1-cyclotridecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.198365456 u |
| Formula | C14H26O |
| InChI | InChI=1S/C14H26O/c1-13-10-8-6-4-2-3-5-7-9-11-14(15)12-13/h13H,2-12H2,1H3/t13-/m1/s1 |
| InChIKey | CVMWCRDXSQGRSJ-CYBMUJFWSA-N |
| Molecular Weight | 210.361 g/mol |
| SMILES | C1(=O)C[C@](C)(CCCCCCCCCC1)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.830078 |