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(4R,5R)-5-(benzyloxycarbonylamino)oct-1-ene-4-sulfonic acid cyclohexyl ester
SpectraBase Compound ID 5z5fZup0AXo
InChI InChI=1S/C22H33NO5S/c1-3-11-20(23-22(24)27-17-18-13-7-5-8-14-18)21(12-4-2)29(25,26)28-19-15-9-6-10-16-19/h4-5,7-8,13-14,19-21H,2-3,6,9-12,15-17H2,1H3,(H,23,24)/t20-,21-/m1/s1
InChIKey AKGDUSIYFBAEJU-NHCUHLMSSA-N
Mol Weight 423.6 g/mol
Molecular Formula C22H33NO5S
Exact Mass 423.207944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EzV9j4K5qNH
Name (4R,5R)-5-(benzyloxycarbonylamino)oct-1-ene-4-sulfonic acid cyclohexyl ester
Alternate Name(s) (4R,5R)-5-(phenylmethoxycarbonylamino)-1-octene-4-sulfonic acid cyclohexyl ester cyclohexyl (4R,5R)-5-(benzyloxycarbonylamino)oct-1-ene-4-sulfonate cyclohexyl (4R,5R)-5-(phenylmethoxycarbonylamino)oct-1-ene-4-sulfonate
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Formula C22H33NO5S
InChI InChI=1S/C22H33NO5S/c1-3-11-20(23-22(24)27-17-18-13-7-5-8-14-18)21(12-4-2)29(25,26)28-19-15-9-6-10-16-19/h4-5,7-8,13-14,19-21H,2-3,6,9-12,15-17H2,1H3,(H,23,24)/t20-,21-/m1/s1
InChIKey AKGDUSIYFBAEJU-NHCUHLMSSA-N
Molecular Weight 423.568 g/mol
SMILES N(C(=O)OCc1ccccc1)[C@@]([C@](S(OC1CCCCC1)(=O)=O)(CC=C)[H])(CCC)[H]
SPLASH splash10-052f-9441000000-1215a7bd86b8192bb9c1
Source of Spectrum C5-2003-1866-10
Wiley ID 1615849