| SpectraBase Compound ID | 4SPzSKhdY4q |
|---|---|
| InChI | InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h3-12H2,1-2H3 |
| InChIKey | ZDIXOWNDGFVYNK-UHFFFAOYSA-N |
| Mol Weight | 198.35 g/mol |
| Molecular Formula | C13H26O |
| Exact Mass | 198.198365 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | G7iUTKS4SOp |
|---|---|
| Name | 3-Tridecanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.198365456 u |
| Formula | C13H26O |
| InChI | InChI=1S/C13H26O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h3-12H2,1-2H3 |
| InChIKey | ZDIXOWNDGFVYNK-UHFFFAOYSA-N |
| Molecular Weight | 198.350 g/mol |
| SMILES | C(C(CC)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Raman) | 0.993831 |