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1H-Cyclopropa[l]phenanthrene, 1-(1,1-dimethylethoxy)-1a,9b-dihydro-1a-(methylthio)-, (1.alpha.,1a.alpha.,9b.alpha.)-
SpectraBase Compound ID DpsgJPR6wKg
InChI InChI=1S/C20H22OS/c1-19(2,3)21-18-17-15-11-6-5-9-13(15)14-10-7-8-12-16(14)20(17,18)22-4/h5-12,17-18H,1-4H3/t17-,18-,20+/m1/s1
InChIKey WSOIYPWGOMTWCA-GGPKGHCWSA-N
Mol Weight 310.46 g/mol
Molecular Formula C20H22OS
Exact Mass 310.139137 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DDB4BXJx0Lz
Name 1H-Cyclopropa[l]phenanthrene, 1-(1,1-dimethylethoxy)-1a,9b-dihydro-1a-(methylthio)-, (1.alpha.,1a.alpha.,9b.alpha.)-
CAS Registry Number 121221-41-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22OS
InChI InChI=1S/C20H22OS/c1-19(2,3)21-18-17-15-11-6-5-9-13(15)14-10-7-8-12-16(14)20(17,18)22-4/h5-12,17-18H,1-4H3/t17-,18-,20+/m1/s1
InChIKey WSOIYPWGOMTWCA-GGPKGHCWSA-N
Molecular Weight 310.455 g/mol
SMILES [C@]12([C@@](c3ccccc3-c3c2cccc3)([H])[C@]1(OC(C)(C)C)[H])SC
SPLASH splash10-056r-2590000000-21f510a42904a95742d5
Source of Spectrum H-71-1637-20
Synonyms (1R,1aR,9bR)-1-tert-butoxy-1a-(methylsulfanyl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene (1R,1aR,9bR)-1a-(methylsulfanyl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthren-1-yl tert-butyl ether 1-''exo''-(t-butoxy)-1a,9b-dihydro-1a-(methylthio)cyclopropa[l]phenanthrene
Wiley ID 1311849