| SpectraBase Compound ID | FRg3WL63wm5 |
|---|---|
| InChI | InChI=1S/C13H22O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h4,11-12H,2-3,5-10H2,1H3/b12-11+ |
| InChIKey | ODVNNXASZCKVMP-VAWYXSNFSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EKFvB77jMOx |
|---|---|
| Name | 1,4-Tridecadien-3-one, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.167065327 u |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c1-3-5-6-7-8-9-10-11-12-13(14)4-2/h4,11-12H,2-3,5-10H2,1H3/b12-11+ |
| InChIKey | ODVNNXASZCKVMP-VAWYXSNFSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C(\C=C\CCCCCCCC)(C=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.978436 |