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3-[2-[(5R)-2-keto-5-(tosyloxymethyl)piperidino]ethyl]indole-1-carboxylic acid tert-butyl ester
SpectraBase Compound ID L6aL3SxzxSE
InChI InChI=1S/C28H34N2O6S/c1-20-9-12-23(13-10-20)37(33,34)35-19-21-11-14-26(31)29(17-21)16-15-22-18-30(27(32)36-28(2,3)4)25-8-6-5-7-24(22)25/h5-10,12-13,18,21H,11,14-17,19H2,1-4H3/t21-/m1/s1
InChIKey HCEWLHWVKODBFD-OAQYLSRUSA-N
Mol Weight 526.6 g/mol
Molecular Formula C28H34N2O6S
Exact Mass 526.213758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1xkJI1Rltw
Name 3-[2-[(5R)-2-keto-5-(tosyloxymethyl)piperidino]ethyl]indole-1-carboxylic acid tert-butyl ester
Alternate Name(s) 3-[2-[(5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxo-1-piperidinyl]ethyl]-1-indolecarboxylic acid tert-butyl ester tert-Butyl 3-[2-[(5R)-2-oxo-5-(p-tolylsulfonyloxymethyl)-1-piperidyl]ethyl]indole-1-carboxylate tert-Butyl 3-[2-[(5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxidanylidene-piperidin-1-yl]ethyl]indole-1-carboxylate tert-Butyl 3-[2-[(5R)-5-[(4-methylphenyl)sulfonyloxymethyl]-2-oxopiperidin-1-yl]ethyl]indole-1-carboxylate
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Formula C28H34N2O6S
InChI InChI=1S/C28H34N2O6S/c1-20-9-12-23(13-10-20)37(33,34)35-19-21-11-14-26(31)29(17-21)16-15-22-18-30(27(32)36-28(2,3)4)25-8-6-5-7-24(22)25/h5-10,12-13,18,21H,11,14-17,19H2,1-4H3/t21-/m1/s1
InChIKey HCEWLHWVKODBFD-OAQYLSRUSA-N
Molecular Weight 526.648 g/mol
SMILES C([n]1cc(CCN2C(=O)CC[C@](C2)(COS(c2ccc(cc2)C)(=O)=O)[H])c2c1cccc2)(OC(C)(C)C)=O
SPLASH splash10-004i-0000950000-b74e27c1878cd748361c
Source of Spectrum QC-10-4063-16
Wiley ID 871697