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2-(benzyloxycarbonylamino)hexane-1-sulfonic acid cyclohexyl ester
SpectraBase Compound ID 68xYeAxjwb8
InChI InChI=1S/C20H31NO5S/c1-2-3-12-18(16-27(23,24)26-19-13-8-5-9-14-19)21-20(22)25-15-17-10-6-4-7-11-17/h4,6-7,10-11,18-19H,2-3,5,8-9,12-16H2,1H3,(H,21,22)
InChIKey AGLBWKYYHWAYLO-UHFFFAOYSA-N
Mol Weight 397.53 g/mol
Molecular Formula C20H31NO5S
Exact Mass 397.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IGiX6AgfNUG
Name 2-(benzyloxycarbonylamino)hexane-1-sulfonic acid cyclohexyl ester
Alternate Name(s) 2-(Phenylmethoxycarbonylamino)-1-hexanesulfonic acid cyclohexyl 2-(benzyloxycarbonylamino)hexane-1-sulfonate cyclohexyl 2-(phenylmethoxycarbonylamino)hexane-1-sulfonate
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Formula C20H31NO5S
InChI InChI=1S/C20H31NO5S/c1-2-3-12-18(16-27(23,24)26-19-13-8-5-9-14-19)21-20(22)25-15-17-10-6-4-7-11-17/h4,6-7,10-11,18-19H,2-3,5,8-9,12-16H2,1H3,(H,21,22)
InChIKey AGLBWKYYHWAYLO-UHFFFAOYSA-N
Molecular Weight 397.530 g/mol
SMILES N(C(=O)OCc1ccccc1)C(CS(OC1CCCCC1)(=O)=O)CCCC
SPLASH splash10-0a4l-9601000000-6eef76b3f9ee5dcc295f
Source of Spectrum C5-2003-1863-6
Wiley ID 1615763