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Methyl (3S*)-3-[1-Benzyl-3-tosyl-3-piperidyl]butanoate
SpectraBase Compound ID CGNBcCCvKUN
InChI InChI=1S/C24H31NO4S/c1-19-10-12-22(13-11-19)30(27,28)24(20(2)16-23(26)29-3)14-7-15-25(18-24)17-21-8-5-4-6-9-21/h4-6,8-13,20H,7,14-18H2,1-3H3/t20-,24-/m0/s1
InChIKey XMCFLYCHYDNBHW-RDPSFJRHSA-N
Mol Weight 429.58 g/mol
Molecular Formula C24H31NO4S
Exact Mass 429.19738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eTDWEJJ8cp
Name Methyl (3S*)-3-[1-Benzyl-3-tosyl-3-piperidyl]butanoate
Alternate Name(s) Methyl (3S)-3-{1-benzyl-3-[(4-methylphenyl)sulfonyl]-3-piperidinyl}butanoate Methyl (3S*)-3-[(3S*)-1-Benzyl-3-tosyl-3-piperidyl]butanoate
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Formula C24H31NO4S
InChI InChI=1S/C24H31NO4S/c1-19-10-12-22(13-11-19)30(27,28)24(20(2)16-23(26)29-3)14-7-15-25(18-24)17-21-8-5-4-6-9-21/h4-6,8-13,20H,7,14-18H2,1-3H3/t20-,24-/m0/s1
InChIKey XMCFLYCHYDNBHW-RDPSFJRHSA-N
Molecular Weight 429.575 g/mol
SMILES [C@@]1(S(c2ccc(cc2)C)(=O)=O)([C@](CC(=O)OC)(C)[H])CN(Cc2ccccc2)CCC1
SPLASH splash10-0006-9030000000-cc414954e474c29cc54f
Source of Spectrum F-53-4811-27
Wiley ID 801598