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2.beta.,8.alpha.-Bis(phenylthio)-4,6-dimethyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
SpectraBase Compound ID 3Hn4DMsCWmr
InChI InChI=1S/C23H24O3S2/c1-22-18-16(20(24-22)27-14-9-5-3-6-10-14)13-17-19(18)23(2,26-22)25-21(17)28-15-11-7-4-8-12-15/h3-12,16-21H,13H2,1-2H3/t16?,17?,18?,19?,20-,21-,22?,23?/m1/s1
InChIKey BDTOOJUCRJWGRT-QXWPKPDTSA-N
Mol Weight 412.56 g/mol
Molecular Formula C23H24O3S2
Exact Mass 412.116687 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 30fs3Jf3y5u
Name 2.beta.,8.alpha.-Bis(phenylthio)-4,6-dimethyl-3,5,7-trioxatetracyclo[7.2.1.0(4,11).0(6,10)]dodecane
Comments Less than 3 mono-isotopic peaks
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Formula C23H24O3S2
InChI InChI=1S/C23H24O3S2/c1-22-18-16(20(24-22)27-14-9-5-3-6-10-14)13-17-19(18)23(2,26-22)25-21(17)28-15-11-7-4-8-12-15/h3-12,16-21H,13H2,1-2H3/t16?,17?,18?,19?,20-,21-,22?,23?/m1/s1
InChIKey BDTOOJUCRJWGRT-QXWPKPDTSA-N
Molecular Weight 412.562 g/mol
SMILES C12(C3C4C(CC3[C@](O1)(Sc1ccccc1)[H])[C@](OC4(O2)C)(Sc1ccccc1)[H])C
SPLASH splash10-0udi-0009200000-b734739a6852e8a24ae0
Source of Spectrum J-62-3213-11
Synonyms (2R,4R)-5a,6a-dimethyl-2,4-bis(phenylsulfanyl)octahydro-2H-1,5,6-trioxadicyclopenta[cd,gh]pentalene
Wiley ID 1374438