SpectraBase Compound ID | Ac1oULNIy4d |
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InChI | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9,11-12H,2-8H2,1H3 |
InChIKey | ZAMVZZCVWRRCSB-UHFFFAOYSA-N |
Mol Weight | 180.29 g/mol |
Molecular Formula | C12H20O |
Exact Mass | 180.151415 g/mol |
SpectraBase Spectrum ID | 6OvP0BeMTXe |
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Name | 2,3-Dodecadienal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 180.151415263 u |
Formula | C12H20O |
InChI | InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h9,11-12H,2-8H2,1H3 |
InChIKey | ZAMVZZCVWRRCSB-UHFFFAOYSA-N |
Molecular Weight | 180.291 g/mol |
SMILES | C(C=C=CCCCCCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.807235 |