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1H-Cyclopropa[l]phenanthrene, 1-chloro-1a,9b-dihydro-1a-(methylthio)-, (1.alpha.,1a.beta.,9b.beta.)-
SpectraBase Compound ID 6eYXnnM4kIs
InChI InChI=1S/C16H13ClS/c1-18-16-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16)15(16)17/h2-9,14-15H,1H3/t14-,15+,16+/m0/s1
InChIKey GGPWRWNKVWCVNE-ARFHVFGLSA-N
Mol Weight 272.79 g/mol
Molecular Formula C16H13ClS
Exact Mass 272.042649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5DOofYmlrAK
Name 1H-Cyclopropa[l]phenanthrene, 1-chloro-1a,9b-dihydro-1a-(methylthio)-, (1.alpha.,1a.beta.,9b.beta.)-
CAS Registry Number 121221-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13ClS
InChI InChI=1S/C16H13ClS/c1-18-16-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14(16)15(16)17/h2-9,14-15H,1H3/t14-,15+,16+/m0/s1
InChIKey GGPWRWNKVWCVNE-ARFHVFGLSA-N
Molecular Weight 272.793 g/mol
SMILES [C@@]12([C@](c3ccccc3-c3c2cccc3)([H])[C@]1(Cl)[H])SC
SPLASH splash10-000i-0590000000-bfbbc860722ced42031f
Source of Spectrum H-71-1636-19
Synonyms (1R,1aS,9bR)-1-chloro-1,9b-dihydro-1aH-cyclopropa[l]phenanthren-1a-yl methyl sulfide (1R,1aS,9bR)-1-chloro-1a-(methylsulfanyl)-1a,9b-dihydro-1H-cyclopropa[l]phenanthrene 1-''endo''-chloro-1a,9b-dihydro-1a-(methylthio)cyclopropa[l]phenanthrene
Wiley ID 1276213