| SpectraBase Compound ID | ByFtuV7ZVkD |
|---|---|
| InChI | InChI=1S/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,11-13H,1,3-10H2/b12-11- |
| InChIKey | QIKYGYCMRRQODW-QXMHVHEDSA-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 | 4yu5UpQUxEJ |
|---|---|
| Name | 2,12-Tridecadienal, (Z)- |
| 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2,11-13H,1,3-10H2/b12-11- |
| InChIKey | QIKYGYCMRRQODW-QXMHVHEDSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C(\C=C/C=O)CCCCCCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94 |