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3',5'-DI-TERT.-BUTYLSPIRO-[4H-3,1-BENZOXATHIIN-2,1'-[3',5']-CYCLOHEXADIEN]-2'-ONE
SpectraBase Compound ID 6BJoed3xDod
InChI InChI=1S/C21H26O2S/c1-19(2,3)15-11-16(20(4,5)6)18(22)21(12-15)23-13-14-9-7-8-10-17(14)24-21/h7-12H,13H2,1-6H3
InChIKey RUUIKYNURAPCCK-UHFFFAOYSA-N
Mol Weight 342.5 g/mol
Molecular Formula C21H26O2S
Exact Mass 342.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCmYdGapEtU
Name 3',5'-di(t-butyl)spiro[4H-3,1-benzoxathiine-2,1'(3',5')-cyclohexadien]-2'-one
CAS Registry Number 124921-74-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O2S
InChI InChI=1S/C21H26O2S/c1-19(2,3)15-11-16(20(4,5)6)18(22)21(12-15)23-13-14-9-7-8-10-17(14)24-21/h7-12H,13H2,1-6H3
InChIKey RUUIKYNURAPCCK-UHFFFAOYSA-N
Molecular Weight 342.497 g/mol
SMILES C12(C(C(C(C)(C)C)=CC(=C2)C(C)(C)C)=O)Sc2ccccc2CO1
SPLASH splash10-00di-0902000000-44db509c11c99a829d5a
Source of Spectrum K-123-1147-4
Synonyms 3',5'-di-tert-butyl-4H-spiro[3,1-benzoxathiine-2,1'-cyclohexane]-2',4'-dien-6'-one
Wiley ID 1336777