SpectraBase Compound ID | FeL9H1oBkuT |
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InChI | InChI=1S/C9H14O2/c1-8(10)7-11-9-5-3-2-4-6-9/h3,5,9H,2,4,6-7H2,1H3 |
InChIKey | MQFBJVJDSIXNHY-UHFFFAOYSA-N |
Mol Weight | 154.21 g/mol |
Molecular Formula | C9H14O2 |
Exact Mass | 154.09938 g/mol |
SpectraBase Spectrum ID | DFzsL3YuzvL |
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Name | 2-Propanone,1-(2-cyclohexen-1-yloxy)-acetone |
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(10)7-11-9-5-3-2-4-6-9/h3,5,9H,2,4,6-7H2,1H3 |
InChIKey | MQFBJVJDSIXNHY-UHFFFAOYSA-N |
Molecular Weight | 154.209 g/mol |
SMILES | C1=CCCCC1OCC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93845 |