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N-(1-adamantylsulfinyl)-N-[2-(2-chlorophenoxy)ethyl]-1-adamantanesulfinamide
SpectraBase Compound ID 8uFc4il3cpT
InChI InChI=1S/C28H38ClNO3S2/c29-25-3-1-2-4-26(25)33-6-5-30(34(31)27-13-19-7-20(14-27)9-21(8-19)15-27)35(32)28-16-22-10-23(17-28)12-24(11-22)18-28/h1-4,19-24H,5-18H2/t19-,20+,21-,22?,23?,24?,27-,28?,34?,35?
InChIKey FUTZWSJPHXLLCQ-MWEQCVHESA-N
Mol Weight 536.2 g/mol
Molecular Formula C28H38ClNO3S2
Exact Mass 535.198164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KYShZ56Xiu8
Name N-(1-adamantylsulfinyl)-N-[2-(2-chlorophenoxy)ethyl]-1-adamantanesulfinamide
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Formula C28H38ClNO3S2
InChI InChI=1S/C28H38ClNO3S2/c29-25-3-1-2-4-26(25)33-6-5-30(34(31)27-13-19-7-20(14-27)9-21(8-19)15-27)35(32)28-16-22-10-23(17-28)12-24(11-22)18-28/h1-4,19-24H,5-18H2/t19-,20+,21-,22?,23?,24?,27-,28?,34?,35?
InChIKey FUTZWSJPHXLLCQ-MWEQCVHESA-N
Molecular Weight 536.189 g/mol
SMILES c1c(c(OCCN(S(=O)C23CC4CC(C3)CC(C2)C4)S(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)ccc1)Cl
SPLASH splash10-000i-7900000000-afe6a1b2fb1cae5f6da8
Synonyms N-(1-adamantylsulfinyl)-N-[2-(2-chloranylphenoxy)ethyl]adamantane-1-sulfinamide N-(1-adamantylsulfinyl)-N-[2-(2-chlorophenoxy)ethyl]adamantane-1-sulfinamide
Wiley ID 1512149