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(E)-2-Isobutylidene-6,6-dimethylcyclohexanone

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(E)-2-Isobutylidene-6,6-dimethylcyclohexanone
SpectraBase Compound ID Ix4bdYHbIQm
InChI InChI=1S/C12H20O/c1-9(2)8-10-6-5-7-12(3,4)11(10)13/h8-9H,5-7H2,1-4H3/b10-8+
InChIKey FAKGMAITDKWQAY-CSKARUKUSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID D2V20PWuDST
Name (E)-2-Isobutylidene-6,6-dimethylcyclohexanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.151415263 u
Formula C12H20O
InChI InChI=1S/C12H20O/c1-9(2)8-10-6-5-7-12(3,4)11(10)13/h8-9H,5-7H2,1-4H3/b10-8+
InChIKey FAKGMAITDKWQAY-CSKARUKUSA-N
Molecular Weight 180.291 g/mol
SMILES C1(\C(CCCC1(C)C)=C\C(C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.967963