SpectraBase Compound ID | BCIlrYBkwHa |
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InChI | InChI=1S/C12H20O2/c1-4-6-7-8-10-12(9-5-2)14-11(3)13/h9,12H,2,4,6-8,10H2,1,3H3 |
InChIKey | MSXVDSKANZCTAS-UHFFFAOYSA-N |
Mol Weight | 196.29 g/mol |
Molecular Formula | C12H20O2 |
Exact Mass | 196.14633 g/mol |
SpectraBase Spectrum ID | 4ImSukzEWUy |
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Name | Deca-1,2-dien-4-yl acetate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 196.146329882 u |
Formula | C12H20O2 |
InChI | InChI=1S/C12H20O2/c1-4-6-7-8-10-12(9-5-2)14-11(3)13/h9,12H,2,4,6-8,10H2,1,3H3 |
InChIKey | MSXVDSKANZCTAS-UHFFFAOYSA-N |
Molecular Weight | 196.290 g/mol |
SMILES | C=C=CC(CCCCCC)OC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.960452 |