| SpectraBase Compound ID | 7XukAUGnePg |
|---|---|
| InChI | InChI=1S/C14H26O2/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(2)16/h3-12H2,1-2H3 |
| InChIKey | XWZMHURRCFYHDB-UHFFFAOYSA-N |
| Mol Weight | 226.36 g/mol |
| Molecular Formula | C14H26O2 |
| Exact Mass | 226.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JUCaC7UR0oK |
|---|---|
| Name | 2,13-Tetradecanedione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.193280075 u |
| Formula | C14H26O2 |
| InChI | InChI=1S/C14H26O2/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(2)16/h3-12H2,1-2H3 |
| InChIKey | XWZMHURRCFYHDB-UHFFFAOYSA-N |
| Molecular Weight | 226.360 g/mol |
| SMILES | CC(CCCCCCCCCCC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856716 |