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1.beta.-[(p-Toluenesulfonyl)oxy]-2.alpha.,3.alpha.-epoxy-4.beta.-[(benzyloxycarbonyl)amino]cycloheptane
SpectraBase Compound ID 9aMcedyCZqn
InChI InChI=1S/C22H25NO6S/c1-15-10-12-17(13-11-15)30(25,26)29-19-9-5-8-18(20-21(19)28-20)23-22(24)27-14-16-6-3-2-4-7-16/h2-4,6-7,10-13,18-21H,5,8-9,14H2,1H3,(H,23,24)/t18-,19+,20+,21-/m1/s1
InChIKey NYQATYILJLGAEV-IVAOSVALSA-N
Mol Weight 431.5 g/mol
Molecular Formula C22H25NO6S
Exact Mass 431.140259 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16Rh4FsUMVJ
Name 1.beta.-[(p-Toluenesulfonyl)oxy]-2.alpha.,3.alpha.-epoxy-4.beta.-[(benzyloxycarbonyl)amino]cycloheptane
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Formula C22H25NO6S
InChI InChI=1S/C22H25NO6S/c1-15-10-12-17(13-11-15)30(25,26)29-19-9-5-8-18(20-21(19)28-20)23-22(24)27-14-16-6-3-2-4-7-16/h2-4,6-7,10-13,18-21H,5,8-9,14H2,1H3,(H,23,24)/t18-,19+,20+,21-/m1/s1
InChIKey NYQATYILJLGAEV-IVAOSVALSA-N
Molecular Weight 431.503 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@]1([C@]2([C@](O2)([C@@](OS(c2ccc(cc2)C)(=O)=O)(CCC1)[H])[H])[H])[H]
SPLASH splash10-052f-9600000000-26828125e3bce1e11aa6
Source of Spectrum F-52-11972-16
Synonyms (1S,2S,6R,7S)-6-{[(benzyloxy)carbonyl]amino}-8-oxabicyclo[5.1.0]oct-2-yl 4-methylbenzenesulfonate
Wiley ID 798619