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Cyclohexanone, 3-ethylidene-2,2,5,5-tetramethyl-

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Cyclohexanone, 3-ethylidene-2,2,5,5-tetramethyl-
SpectraBase Compound ID I73Fwu5fDql
InChI InChI=1S/C12H20O/c1-6-9-7-11(2,3)8-10(13)12(9,4)5/h6H,7-8H2,1-5H3/b9-6+
InChIKey DEOJTPCIEDDNEF-RMKNXTFCSA-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 6Jf0Z0S3ngq
Name Cyclohexanone, 3-ethylidene-2,2,5,5-tetramethyl-
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/c1-6-9-7-11(2,3)8-10(13)12(9,4)5/h6H,7-8H2,1-5H3/b9-6+
InChIKey DEOJTPCIEDDNEF-RMKNXTFCSA-N
Molecular Weight 180.291 g/mol
SMILES C1(CC(C(\C(C1)=C\C)(C)C)=O)(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869466