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Ethyl 1,1'-bi(cyclohexane)-1,2'-dien-3-one
SpectraBase Compound ID 8FpfSqX1LD9
InChI InChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h2,5,9-10H,1,3-4,6-8H2
InChIKey IJPPYXIBNBQETG-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Cvv4bkIl74Z
Name Ethyl 1,1'-bi(cyclohexane)-1,2'-dien-3-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h2,5,9-10H,1,3-4,6-8H2
InChIKey IJPPYXIBNBQETG-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C1CCC(=CC1=O)C1C=CCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.945293