SpectraBase Compound ID | K54q72NMXJe |
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InChI | InChI=1S/C9H14O2/c1-8(2)5-6-9(11)4-3-7-10/h5-8H,3-4H2,1-2H3/b6-5+ |
InChIKey | GPFGPPUCFMTYSI-AATRIKPKSA-N |
Mol Weight | 154.21 g/mol |
Molecular Formula | C9H14O2 |
Exact Mass | 154.09938 g/mol |
SpectraBase Spectrum ID | rJfY2w3jYQ |
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Name | (E)-7-Methyl-4-oxo-5-octenal |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 154.099379689 u |
Formula | C9H14O2 |
InChI | InChI=1S/C9H14O2/c1-8(2)5-6-9(11)4-3-7-10/h5-8H,3-4H2,1-2H3/b6-5+ |
InChIKey | GPFGPPUCFMTYSI-AATRIKPKSA-N |
Molecular Weight | 154.209 g/mol |
SMILES | C(\C=C\C(=O)CCC=O)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896209 |