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(R)-2-Phenylamino-2-((S)-phenyl-phenylsulfanyl-methyl)-dodecanoic acid ethyl ester
SpectraBase Compound ID ZErq50kJwu
InChI InChI=1S/C33H43NO2S/c1-3-5-6-7-8-9-10-20-27-33(32(35)36-4-2,34-29-23-16-12-17-24-29)31(28-21-14-11-15-22-28)37-30-25-18-13-19-26-30/h11-19,21-26,31,34H,3-10,20,27H2,1-2H3/t31-,33-/m0/s1
InChIKey URRBIDAXSWEWRR-WEZIJMHWSA-N
Mol Weight 517.8 g/mol
Molecular Formula C33H43NO2S
Exact Mass 517.301451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VT4eZjScG8
Name (R)-2-Phenylamino-2-((S)-phenyl-phenylsulfanyl-methyl)-dodecanoic acid ethyl ester
Alternate Name(s) Ethyl (2R)-2-anilino-2-[(S)-phenyl(phenylsulfanyl)methyl]dodecanoate Ethyl 2-[(phenyl)phenylthiomethyl]-2-phenylaminododecanoate
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Formula C33H43NO2S
InChI InChI=1S/C33H43NO2S/c1-3-5-6-7-8-9-10-20-27-33(32(35)36-4-2,34-29-23-16-12-17-24-29)31(28-21-14-11-15-22-28)37-30-25-18-13-19-26-30/h11-19,21-26,31,34H,3-10,20,27H2,1-2H3/t31-,33-/m0/s1
InChIKey URRBIDAXSWEWRR-WEZIJMHWSA-N
Molecular Weight 517.772 g/mol
SMILES N([C@@]([C@@](Sc1ccccc1)(c1ccccc1)[H])(C(=O)OCC)CCCCCCCCCC)c1ccccc1
SPLASH splash10-00yi-0049100000-b63df521356e248e9d70
Source of Spectrum F-56-4422-18
Wiley ID 857482