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Dimethyl cis-2-(2-Indolyl)-1-[2-(phenylsulfinyl)ethyl]-4-piperidinemalonate
SpectraBase Compound ID KyE9wDlKHLO
InChI InChI=1S/C26H30N2O5S/c1-32-25(29)24(26(30)33-2)19-12-13-28(14-15-34(31)20-9-4-3-5-10-20)23(17-19)22-16-18-8-6-7-11-21(18)27-22/h3-11,16,19,23-24,27H,12-15,17H2,1-2H3/t19-,23+,34?/m1/s1
InChIKey FZYYQBCFJCXYAH-NRFLBXAQSA-N
Mol Weight 482.6 g/mol
Molecular Formula C26H30N2O5S
Exact Mass 482.187543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J4XJVyVCKID
Name Dimethyl cis-2-(2-Indolyl)-1-[2-(phenylsulfinyl)ethyl]-4-piperidinemalonate
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Formula C26H30N2O5S
InChI InChI=1S/C26H30N2O5S/c1-32-25(29)24(26(30)33-2)19-12-13-28(14-15-34(31)20-9-4-3-5-10-20)23(17-19)22-16-18-8-6-7-11-21(18)27-22/h3-11,16,19,23-24,27H,12-15,17H2,1-2H3/t19-,23+,34?/m1/s1
InChIKey FZYYQBCFJCXYAH-NRFLBXAQSA-N
Molecular Weight 482.595 g/mol
SMILES [nH]1c2ccccc2cc1[C@]1(N(CCS(=O)c2ccccc2)CC[C@@](C(C(=O)OC)C(=O)OC)(C1)[H])[H]
SPLASH splash10-055f-0902000000-302044735c1ea636ec7e
Source of Spectrum J-62-3170-17
Synonyms Dimethyl 2-{(2S,4R)-2-(1H-indol-2-yl)-1-[2-(phenylsulfinyl)ethyl]piperidinyl}malonate 2-[(2S,4R)-1-[2-(benzenesulfinyl)ethyl]-2-(1H-indol-2-yl)-4-piperidinyl]propanedioic acid dimethyl ester Dimethyl 2-[(2S,4R)-1-[2-(benzenesulfinyl)ethyl]-2-(1H-indol-2-yl)piperidin-4-yl]propanedioate Dimethyl 2-[(2S,4R)-1-[2-(benzenesulfinyl)ethyl]-2-(1H-indol-2-yl)-4-piperidyl]propanedioate Dimethyl 2-[(2S,4R)-2-(1H-indol-2-yl)-1-[2-(phenylsulfinyl)ethyl]piperidin-4-yl]propanedioate
Wiley ID 1395602