SpectraBase Compound ID | 9QnxLf60Os |
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InChI | InChI=1S/C10H16O/c1-7-4-5-10(9(3)11)6-8(7)2/h10H,4-6H2,1-3H3 |
InChIKey | RURLNOKRSSLTSA-UHFFFAOYSA-N |
Mol Weight | 152.24 g/mol |
Molecular Formula | C10H16O |
Exact Mass | 152.120115 g/mol |
SpectraBase Spectrum ID | GxQSy59RI76 |
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Name | 1,2-Dimethyl-4-acetyl-cyclohexene |
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/c1-7-4-5-10(9(3)11)6-8(7)2/h10H,4-6H2,1-3H3 |
InChIKey | RURLNOKRSSLTSA-UHFFFAOYSA-N |
Molecular Weight | 152.237 g/mol |
SMILES | CC(=O)C1CCC(C)=C(C)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959577 |