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2,2,6,6-Tetramethyl-5-(2-phenyl-1,3-dithian-2-yl)-3-heptanone
SpectraBase Compound ID 6PJjqeD0l51
InChI InChI=1S/C21H32OS2/c1-19(2,3)17(15-18(22)20(4,5)6)21(23-13-10-14-24-21)16-11-8-7-9-12-16/h7-9,11-12,17H,10,13-15H2,1-6H3
InChIKey QNFYPXTZPQVKPU-UHFFFAOYSA-N
Mol Weight 364.6 g/mol
Molecular Formula C21H32OS2
Exact Mass 364.189458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ghcz0JafA
Name 2,2,6,6-Tetramethyl-5-(2-phenyl-1,3-dithian-2-yl)-3-heptanone
CAS Registry Number 88563-45-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32OS2
InChI InChI=1S/C21H32OS2/c1-19(2,3)17(15-18(22)20(4,5)6)21(23-13-10-14-24-21)16-11-8-7-9-12-16/h7-9,11-12,17H,10,13-15H2,1-6H3
InChIKey QNFYPXTZPQVKPU-UHFFFAOYSA-N
Molecular Weight 364.606 g/mol
SMILES C1(C(CC(C(C)(C)C)=O)C(C)(C)C)(SCCCS1)c1ccccc1
SPLASH splash10-0a4j-7960000000-075f82af14487c1fc355
Source of Spectrum J-49-939-0
Wiley ID 1350875