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2,5-Epoxy-6H-indeno[1,2-b]oxiren-6-one, 1a,1b,2,5,5a,6a-hexahydro-6a-[(phenylthio)methyl]-, (1a.alpha.,1b.beta.,2.alpha.,5.alpha.,5a.beta.,6a.alpha.)-
SpectraBase Compound ID IuxLwJf9ucm
InChI InChI=1S/C16H14O3S/c17-14-12-10-6-7-11(18-10)13(12)15-16(14,19-15)8-20-9-4-2-1-3-5-9/h1-7,10-13,15H,8H2/t10-,11+,12-,13+,15-,16+/m1/s1
InChIKey GYMUIKLUACSIKZ-NXNLJZTQSA-N
Mol Weight 286.35 g/mol
Molecular Formula C16H14O3S
Exact Mass 286.066365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bh1nsk6ejtB
Name 2,5-Epoxy-6H-indeno[1,2-b]oxiren-6-one, 1a,1b,2,5,5a,6a-hexahydro-6a-[(phenylthio)methyl]-, (1a.alpha.,1b.beta.,2.alpha.,5.alpha.,5a.beta.,6a.alpha.)-
CAS Registry Number 127588-03-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14O3S
InChI InChI=1S/C16H14O3S/c17-14-12-10-6-7-11(18-10)13(12)15-16(14,19-15)8-20-9-4-2-1-3-5-9/h1-7,10-13,15H,8H2/t10-,11+,12-,13+,15-,16+/m1/s1
InChIKey GYMUIKLUACSIKZ-NXNLJZTQSA-N
Molecular Weight 286.345 g/mol
SMILES [C@@]12([C@]([C@]3([C@@]4(C=C[C@]([C@]3(C2=O)[H])(O4)[H])[H])[H])([H])O1)CSc1ccccc1
SPLASH splash10-05mk-9550000000-80aa40fe1afcd8e9c6c6
Source of Spectrum F-45-7143-3
Synonyms (1S,2R,3R,5R,7S,8R)-5-[(phenylsulfanyl)methyl]-4,11-dioxatetracyclo[6.2.1.0(2,7).0(3,5)]undec-9-en-6-one exo-4,5-epoxy-endo-4-phenylthiomethyl-10-oxatricyclo[5.2.1.0(2,6)]deca-8-en-3-one exo-4,5-epoxy-endo-4-phenylthiomethyl-exo-10-oxatricyclo[.2.1.0(2,6)]deca-8-en-3-one
Wiley ID 1289759