SpectraBase Compound ID | NHqOpp7H6l |
---|---|
InChI | InChI=1S/C9H14O2/c1-3-11-9-5-7(2)4-8(10)6-9/h6-7H,3-5H2,1-2H3 |
InChIKey | XCDJARVNEKGTFS-UHFFFAOYSA-N |
Mol Weight | 154.21 g/mol |
Molecular Formula | C9H14O2 |
Exact Mass | 154.09938 g/mol |
SpectraBase Spectrum ID | FqaThENSkIg |
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Name | 3-Ethoxy-5-methylcyclohex-2-en-1-one |
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/c1-3-11-9-5-7(2)4-8(10)6-9/h6-7H,3-5H2,1-2H3 |
InChIKey | XCDJARVNEKGTFS-UHFFFAOYSA-N |
Molecular Weight | 154.209 g/mol |
SMILES | C1(=O)C=C(CC(C1)C)OCC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914377 |