SpectraBase Compound ID | Cke57yGSJnn |
---|---|
InChI | InChI=1S/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,6-7H,3-5,8H2,1H3/b6-2+ |
InChIKey | HGKVDALQZGEOJH-QHHAFSJGSA-N |
Mol Weight | 150.22 g/mol |
Molecular Formula | C10H14O |
Exact Mass | 150.104465 g/mol |
SpectraBase Spectrum ID | HUggKoT4bvK |
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Name | (E)-1-(1-Cyclohexenyl)but-2-en-1-one |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 150.104465070 u |
Formula | C10H14O |
InChI | InChI=1S/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h2,6-7H,3-5,8H2,1H3/b6-2+ |
InChIKey | HGKVDALQZGEOJH-QHHAFSJGSA-N |
Molecular Weight | 150.221 g/mol |
SMILES | C(=O)(C=1CCCCC1)\C=C\C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973397 |