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5,6,7,7a,9,12a-Hexahydro-7-phenylthio-13-thiaindano[3,2-b]phenanthrene
SpectraBase Compound ID DzxeruBJPN2
InChI InChI=1S/C26H22S2/c1-2-10-19(11-3-1)27-26-22-15-14-17-8-4-6-12-20(17)24(22)28-25-21-13-7-5-9-18(21)16-23(25)26/h1-13,16,21,23,25-26H,14-15H2
InChIKey GURZCDLIMBUANN-UHFFFAOYSA-N
Mol Weight 398.58 g/mol
Molecular Formula C26H22S2
Exact Mass 398.116293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5BJBMDZfU6M
Name 5,6,7,7a,9,12a-Hexahydro-7-phenylthio-13-thiaindano[3,2-b]phenanthrene
Alternate Name(s) 5,6,7,7a,12a,12b-hexahydroindeno[1,2-b]naphtho[2,1-e]thiopyran-7-yl phenyl sulfide 5,6,7,7a,9,11a-Hexahydro-7-phenylthio-13-thiaindano[3,2-b]phenanthrene 7-(Phenylsulfanyl)-5,6,7,7a,12a,12b-hexahydroindeno[1,2-b]naphtho[2,1-e]thiopyran
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Formula C26H22S2
InChI InChI=1S/C26H22S2/c1-2-10-19(11-3-1)27-26-22-15-14-17-8-4-6-12-20(17)24(22)28-25-21-13-7-5-9-18(21)16-23(25)26/h1-13,16,21,23,25-26H,14-15H2
InChIKey GURZCDLIMBUANN-UHFFFAOYSA-N
Molecular Weight 398.582 g/mol
SMILES C12=C(C(Sc3ccccc3)C3C(S1)C1C(C=CC=C1)=C3)CCc1c2cccc1
SPLASH splash10-00n0-8980000000-6d65e641ca8e87db0eae
Source of Spectrum AJ-65-2059-2
Wiley ID 771475