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4,7-Epoxy-1H-inden-1-one, 3a,4,7,7a-tetrahydro-2-[[(4-methylphenyl)sulfonyl]methyl]-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
SpectraBase Compound ID LUiVOseNPkA
InChI InChI=1S/C17H16O4S/c1-10-2-4-12(5-3-10)22(19,20)9-11-8-13-14-6-7-15(21-14)16(13)17(11)18/h2-8,13-16H,9H2,1H3/t13-,14-,15+,16-/m0/s1
InChIKey BTPLMPOPZZFKPB-JONQDZQNSA-N
Mol Weight 316.37 g/mol
Molecular Formula C17H16O4S
Exact Mass 316.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRU2KF1DaRC
Name 4,7-Epoxy-1H-inden-1-one, 3a,4,7,7a-tetrahydro-2-[[(4-methylphenyl)sulfonyl]methyl]-, (3a.alpha.,4.beta.,7.beta.,7a.alpha.)-
CAS Registry Number 113728-74-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4S
InChI InChI=1S/C17H16O4S/c1-10-2-4-12(5-3-10)22(19,20)9-11-8-13-14-6-7-15(21-14)16(13)17(11)18/h2-8,13-16H,9H2,1H3/t13-,14-,15+,16-/m0/s1
InChIKey BTPLMPOPZZFKPB-JONQDZQNSA-N
Molecular Weight 316.371 g/mol
SMILES C1(=C[C@]2([C@@]3(C=C[C@]([C@]2(C1=O)[H])(O3)[H])[H])[H])CS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-03dl-8900000000-d33048f90077430cab5a
Source of Spectrum F-45-7127-35
Synonyms (1R,2S,6R,7S)-4-{[(4-methylphenyl)sulfonyl]methyl}-10-oxatricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one 4-(p-tolylsulphonyl)methyl-exo-10-oxatricyclo[5.2.1.0(2,6)]deca-4,8-dien-3-one
Wiley ID 1316644