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2-(Methoxymethoxy)-1-[1-(N-methoxycarbonylamido)-2-(S-trichloroethoxycarbonyl)thioethyl]-1-.beta.-carboline
SpectraBase Compound ID D5Cx39cTypJ
InChI InChI=1S/C20H24Cl3N3O6S/c1-29-11-32-26-8-7-13-12-5-3-4-6-14(12)24-16(13)17(26)15(25-18(27)30-2)9-33-19(28)31-10-20(21,22)23/h3-6,15,17,24H,7-11H2,1-2H3,(H,25,27)/t15-,17+/m0/s1
InChIKey UYPOPCZTSHOAIX-DOTOQJQBSA-N
Mol Weight 540.85 g/mol
Molecular Formula C20H24Cl3N3O6S
Exact Mass 539.04514 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iTPY6pi39u
Name 2-(Methoxymethoxy)-1-[1-(N-methoxycarbonylamido)-2-(S-trichloroethoxycarbonyl)thioethyl]-1-.beta.-carboline
Alternate Name(s) 2-(Methoxymethoxy)-1-[1-(N-methoxycarbonylamido)-2-(S-trichloroethoxycarbonyl)ethyl]-1-.beta.-carboline S-{(2R)-2-[(methoxycarbonyl)amino]-2-[(1R)-2-(methoxymethoxy)-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-yl]ethyl} O-(2,2,2-trichloroethyl) thiocarbonate
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Formula C20H24Cl3N3O6S
InChI InChI=1S/C20H24Cl3N3O6S/c1-29-11-32-26-8-7-13-12-5-3-4-6-14(12)24-16(13)17(26)15(25-18(27)30-2)9-33-19(28)31-10-20(21,22)23/h3-6,15,17,24H,7-11H2,1-2H3,(H,25,27)/t15-,17+/m0/s1
InChIKey UYPOPCZTSHOAIX-DOTOQJQBSA-N
Molecular Weight 540.846 g/mol
SMILES N([C@]([C@@]1(c2c(CCN1OCOC)c1ccccc1[nH]2)[H])(CSC(=O)OCC(Cl)(Cl)Cl)[H])C(=O)OC
SPLASH splash10-0089-0590000000-0b49de1c3bcbd82aecb5
Source of Spectrum KC-0-3484-0
Wiley ID 831865