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CYCLOHEXYL-(R)-(+)-3-(BENZYLOXYCARBONYLAMINO)-NONANESULFONATE
SpectraBase Compound ID 2YfWE9dVUNf
InChI InChI=1S/C23H37NO5S/c1-2-3-4-9-14-21(24-23(25)28-19-20-12-7-5-8-13-20)17-18-30(26,27)29-22-15-10-6-11-16-22/h5,7-8,12-13,21-22H,2-4,6,9-11,14-19H2,1H3,(H,24,25)/t21-/m1/s1
InChIKey IQWYSJSUOXMJRL-OAQYLSRUSA-N
Mol Weight 439.6 g/mol
Molecular Formula C23H37NO5S
Exact Mass 439.239244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7gPHddaEB5D
Name (3R)-3-(benzyloxycarbonylamino)nonane-1-sulfonic acid cyclohexyl ester
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Formula C23H37NO5S
InChI InChI=1S/C23H37NO5S/c1-2-3-4-9-14-21(24-23(25)28-19-20-12-7-5-8-13-20)17-18-30(26,27)29-22-15-10-6-11-16-22/h5,7-8,12-13,21-22H,2-4,6,9-11,14-19H2,1H3,(H,24,25)/t21-/m1/s1
InChIKey IQWYSJSUOXMJRL-OAQYLSRUSA-N
Molecular Weight 439.611 g/mol
SMILES N([C@@](CCS(=O)(=O)OC1CCCCC1)(CCCCCC)[H])C(=O)OCc1ccccc1
SPLASH splash10-052f-9451000000-14f656d9f2fdbcfc69e9
Source of Spectrum K1-0-1278-5
Synonyms (3R)-3-(phenylmethoxycarbonylamino)-1-nonanesulfonic acid cyclohexyl (3R)-3-(benzyloxycarbonylamino)nonane-1-sulfonate cyclohexyl (3R)-3-(phenylmethoxycarbonylamino)nonane-1-sulfonate
Wiley ID 1588507