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(1R,5S,6S,9S,1'S)-5,9-Dimethyl-3-(1'-phenylethyl)spiro{[3]azabicyclo[4.3.0]nonane-8,2"-[1,3]dithiane}
SpectraBase Compound ID I5G0bxkmhLY
InChI InChI=1S/C21H31NS2/c1-15-13-22(17(3)18-8-5-4-6-9-18)14-20-16(2)21(12-19(15)20)23-10-7-11-24-21/h4-6,8-9,15-17,19-20H,7,10-14H2,1-3H3/t15-,16+,17+,19+,20+/m1/s1
InChIKey OMJJTECCUWBXDS-ORZNMBHWSA-N
Mol Weight 361.61 g/mol
Molecular Formula C21H31NS2
Exact Mass 361.189792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CsZB7ig9uKt
Name (1R,5S,6S,9S,1'S)-5,9-Dimethyl-3-(1'-phenylethyl)spiro{[3]azabicyclo[4.3.0]nonane-8,2"-[1,3]dithiane}
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Formula C21H31NS2
InChI InChI=1S/C21H31NS2/c1-15-13-22(17(3)18-8-5-4-6-9-18)14-20-16(2)21(12-19(15)20)23-10-7-11-24-21/h4-6,8-9,15-17,19-20H,7,10-14H2,1-3H3/t15-,16+,17+,19+,20+/m1/s1
InChIKey OMJJTECCUWBXDS-ORZNMBHWSA-N
Molecular Weight 361.606 g/mol
SMILES C1N(C[C@]([C@@]2(CC3([C@]([C@]12[H])(C)[H])SCCCS3)[H])(C)[H])[C@](c1ccccc1)(C)[H]
SPLASH splash10-0a4k-0729000000-a6d29038a2593f01f6b7
Source of Spectrum H-76-1604-29
Synonyms (3S,3aR,7S,7aS)-3,7-dimethyl-5-[(1S)-1-phenylethyl]-octahydrospiro[cyclopenta[c]pyridine-2,2'-[1,3]dithiane]
Wiley ID 1349051