SpectraBase Compound ID | 1ZDvdpvASSB |
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InChI | InChI=1S/C10H16O/c1-8(2)7-9-5-3-4-6-10(9)11/h7,9H,3-6H2,1-2H3 |
InChIKey | SMMCLHBJTJELMD-UHFFFAOYSA-N |
Mol Weight | 152.24 g/mol |
Molecular Formula | C10H16O |
Exact Mass | 152.120115 g/mol |
SpectraBase Spectrum ID | JVsB8CrAlhf |
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Name | 2-(2-Methyl-propenyl)-cyclohexanone |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 152.120115134 u |
Formula | C10H16O |
InChI | InChI=1S/C10H16O/c1-8(2)7-9-5-3-4-6-10(9)11/h7,9H,3-6H2,1-2H3 |
InChIKey | SMMCLHBJTJELMD-UHFFFAOYSA-N |
Molecular Weight | 152.237 g/mol |
SMILES | C1(=O)C(C=C(C)C)CCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968252 |