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(+)-N1-[(1S)-1-PHENYLETHYL]-1-[(S)-SPIROBRASSININ]-CARBOXAMIDE
SpectraBase Compound ID 3rVZE9pWdmb
InChI InChI=1S/C20H19N3O2S2/c1-13(14-8-4-3-5-9-14)22-18(25)23-16-11-7-6-10-15(16)20(17(23)24)12-21-19(26-2)27-20/h3-11,13H,12H2,1-2H3,(H,22,25)/t13-,20+/m0/s1
InChIKey ZBKBKMPPPCTHEK-RNODOKPDSA-N
Mol Weight 397.51 g/mol
Molecular Formula C20H19N3O2S2
Exact Mass 397.091869 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ImnPXI9pYbK
Name (+-)-N-[N'-(1-Phenylethyl)amido]spirobrassinin isomer
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Formula C20H19N3O2S2
InChI InChI=1S/C20H19N3O2S2/c1-13(14-8-4-3-5-9-14)22-18(25)23-16-11-7-6-10-15(16)20(17(23)24)12-21-19(26-2)27-20/h3-11,13H,12H2,1-2H3,(H,22,25)/t13-,20+/m0/s1
InChIKey ZBKBKMPPPCTHEK-RNODOKPDSA-N
Molecular Weight 397.511 g/mol
SMILES N(C(N1C([C@]2(SC(SC)=NC2)c2c1cccc2)=O)=O)[C@](c1ccccc1)(C)[H]
SPLASH splash10-0udi-0391000000-1ddd442fbebc7031fd3c
Source of Spectrum C4-2000-887-4
Synonyms (+)-N1-[(1S)-1-Phenylethyl]-1-[(S)-spirobrassinin]carboxamide
Wiley ID 1520005