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2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(2,2,4,4-tetramethyl-3-thioxocyclobutyli dene)-

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-(2,2,4,4-tetramethyl-3-thioxocyclobutyli dene)-
SpectraBase Compound ID LxsJ41N3AJW
InChI InChI=1S/C22H32OS/c1-19(2,3)14-11-13(12-15(16(14)23)20(4,5)6)17-21(7,8)18(24)22(17,9)10/h11-12H,1-10H3
InChIKey LMKIOBFVNQJGRK-UHFFFAOYSA-N
Mol Weight 344.6 g/mol
Molecular Formula C22H32OS
Exact Mass 344.217387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTgq94WrV05
Name 2,6-ditert-butyl-4-(2,2,4,4-tetramethyl-3-sulfanylidene-cyclobutylidene)cyclohexa-2,5-dien-1-one
CAS Registry Number 107271-44-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H32OS
InChI InChI=1S/C22H32OS/c1-19(2,3)14-11-13(12-15(16(14)23)20(4,5)6)17-21(7,8)18(24)22(17,9)10/h11-12H,1-10H3
InChIKey LMKIOBFVNQJGRK-UHFFFAOYSA-N
Molecular Weight 344.557 g/mol
SMILES C1(=C2C=C(C(C)(C)C)C(C(=C2)C(C)(C)C)=O)C(C)(C)C(C1(C)C)=S
SPLASH splash10-0a4l-9008000000-1b68d65eb0f1a2a82f7f
Source of Spectrum J-52-2159-22
Synonyms 2,6-ditert-butyl-4-(2,2,4,4-tetramethyl-3-sulfanylidenecyclobutylidene)-1-cyclohexa-2,5-dienone 2,6-ditert-butyl-4-(2,2,4,4-tetramethyl-3-thioxo-cyclobutylidene)cyclohexa-2,5-dien-1-one
Wiley ID 1338224