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5-(4-(methylthio)phenyl)spiro[adamantane-2,2'-[1,3]dioxolane]
SpectraBase Compound ID 4vfYbDdnkY9
InChI InChI=1S/C19H24O2S/c1-22-17-4-2-14(3-5-17)18-10-13-8-15(11-18)19(16(9-13)12-18)20-6-7-21-19/h2-5,13,15-16H,6-12H2,1H3/t13-,15-,16+,18-
InChIKey VKKUQNLMFXOBHM-OAIYTHNZSA-N
Mol Weight 316.46 g/mol
Molecular Formula C19H24O2S
Exact Mass 316.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIRCD7hfLkT
Name 5-(4-(methylthio)phenyl)spiro[adamantane-2,2'-[1,3]dioxolane]
Alternate Name(s) (1R,3S,5s,7s)-5-(4-(methylthio)phenyl)spiro[adamantane-2,2'-[1,3]dioxolane]
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Formula C19H24O2S
InChI InChI=1S/C19H24O2S/c1-22-17-4-2-14(3-5-17)18-10-13-8-15(11-18)19(16(9-13)12-18)20-6-7-21-19/h2-5,13,15-16H,6-12H2,1H3/t13-,15-,16+,18-
InChIKey VKKUQNLMFXOBHM-OAIYTHNZSA-N
Literature Reference DOI 10.1021/ol500781j
Molecular Weight 316.459 g/mol
SMILES C12([C@]3(C[C@]4(C[C@@](C3)(C[C@]2(C4)[H])[H])c2ccc(cc2)SC)[H])OCCO1
SPLASH splash10-014i-2109000000-3f5be1772ce7645db344
Source of Spectrum A1-16-2418/SMS22-5d
Wiley ID 1749437