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cis-(.alpha.S,3S*,5RS)-N-(Methoxycarbonyl)-3-methylbutyl]-3-phthaloyl-5-methylthiopioeridin-2-one
SpectraBase Compound ID 5lYlvKQROjU
InChI InChI=1S/C21H26N2O5S/c1-21(2,3)16(20(27)28-4)22-11-12(29-5)10-15(19(22)26)23-17(24)13-8-6-7-9-14(13)18(23)25/h6-9,12,15-16H,10-11H2,1-5H3/t12-,15+,16?/m0/s1
InChIKey SNJCUSDKXQWRPQ-PNMZXMJCSA-N
Mol Weight 418.51 g/mol
Molecular Formula C21H26N2O5S
Exact Mass 418.156243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36vNtx9ptQ
Name cis-(.alpha.S,3S*,5RS)-N-(Methoxycarbonyl)-3-methylbutyl]-3-phthaloyl-5-methylthiopioeridin-2-one
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Formula C21H26N2O5S
InChI InChI=1S/C21H26N2O5S/c1-21(2,3)16(20(27)28-4)22-11-12(29-5)10-15(19(22)26)23-17(24)13-8-6-7-9-14(13)18(23)25/h6-9,12,15-16H,10-11H2,1-5H3/t12-,15+,16?/m0/s1
InChIKey SNJCUSDKXQWRPQ-PNMZXMJCSA-N
Molecular Weight 418.508 g/mol
SMILES C1(N(C(c2ccccc12)=O)[C@]1(C(N(C(C(=O)OC)C(C)(C)C)C[C@](C1)(SC)[H])=O)[H])=O
SPLASH splash10-07vi-0529000000-9204c5c046cd325c98ef
Source of Spectrum F-55-10184-26
Synonyms cis-(.alpha.S,3S*,5RS)-N-[1-(Methoxycarbonyl)-2,2-dimethylpropyl]-3-phthaloyl-5-methylthiopioeridin-2-one
Wiley ID 838864