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5a,5b,11a,12,12a,13-Hexahydro-11H-cyclopenta[2,1-b : 3,4-b'][1]benzothiopyran

View entire compound with spectra: 1 MS (GC)

5a,5b,11a,12,12a,13-Hexahydro-11H-cyclopenta[2,1-b : 3,4-b'][1]benzothiopyran
SpectraBase Compound ID 4RGSkrPL3WP
InChI InChI=1S/C19H18S2/c1-3-7-16-12(5-1)9-14-11-15-10-13-6-2-4-8-17(13)21-19(15)18(14)20-16/h1-8,14-15,18-19H,9-11H2
InChIKey MCYJMOGRNYHADY-UHFFFAOYSA-N
Mol Weight 310.47 g/mol
Molecular Formula C19H18S2
Exact Mass 310.084993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANqRDap4lj9
Name 5a,5b,11a,12,12a,13-Hexahydro-11H-cyclopenta[2,1-b : 3,4-b'][1]benzothiopyran
Alternate Name(s) 5a,5b,11a,12,12a,13-hexahydro-11H-[1]benzothiopyrano[3',2':4,5]cyclopenta[1,2-b][1]benzothiopyran
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Formula C19H18S2
InChI InChI=1S/C19H18S2/c1-3-7-16-12(5-1)9-14-11-15-10-13-6-2-4-8-17(13)21-19(15)18(14)20-16/h1-8,14-15,18-19H,9-11H2
InChIKey MCYJMOGRNYHADY-UHFFFAOYSA-N
Molecular Weight 310.473 g/mol
SMILES C12Sc3c(CC1CC1Cc4ccccc4SC21)cccc3
SPLASH splash10-000j-0902000000-c8067e1b0b6cea080f18
Source of Spectrum Y-33-1728-7
Wiley ID 1311738