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(2R)-2-(benzylamino)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-(p-tolyl) ester
SpectraBase Compound ID EypqEop3Kdx
InChI InChI=1S/C21H25NO3S/c1-15-9-11-17(12-10-15)26-20(23)19(18-14-24-21(2,3)25-18)22-13-16-7-5-4-6-8-16/h4-12,18-19,22H,13-14H2,1-3H3/t18-,19-/m1/s1
InChIKey RDJFZLOZHWAHHO-RTBURBONSA-N
Mol Weight 371.5 g/mol
Molecular Formula C21H25NO3S
Exact Mass 371.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B41jG4EuHln
Name (2R)-2-(benzylamino)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioic acid S-(p-tolyl) ester
Alternate Name(s) (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(phenylmethyl)amino]ethanethioic acid S-(4-methylphenyl) ester S-(4-methylphenyl) (2R)-2-(benzylamino)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate S-(4-methylphenyl) (2R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(phenylmethyl)amino]ethanethioate S-(p-tolyl) (2R)-2-(benzylamino)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanethioate
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Formula C21H25NO3S
InChI InChI=1S/C21H25NO3S/c1-15-9-11-17(12-10-15)26-20(23)19(18-14-24-21(2,3)25-18)22-13-16-7-5-4-6-8-16/h4-12,18-19,22H,13-14H2,1-3H3/t18-,19-/m1/s1
InChIKey RDJFZLOZHWAHHO-RTBURBONSA-N
Molecular Weight 371.495 g/mol
SMILES N([C@@](C(Sc1ccc(cc1)C)=O)([C@@]1(OC(C)(C)OC1)[H])[H])Cc1ccccc1
SPLASH splash10-00dl-9267000000-a5a6a2a31374313d4ab6
Source of Spectrum J-60-6437-23
Wiley ID 1354986