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(4R)-4-(benzyloxycarbonylamino)decane-1-sulfonic acid cyclohexyl ester
SpectraBase Compound ID GbCB8l3vPdt
InChI InChI=1S/C24H39NO5S/c1-2-3-4-9-15-22(25-24(26)29-20-21-13-7-5-8-14-21)16-12-19-31(27,28)30-23-17-10-6-11-18-23/h5,7-8,13-14,22-23H,2-4,6,9-12,15-20H2,1H3,(H,25,26)/t22-/m1/s1
InChIKey FNLUDNSTBZXSGX-JOCHJYFZSA-N
Mol Weight 453.6 g/mol
Molecular Formula C24H39NO5S
Exact Mass 453.254895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AFB4oMlBQU4
Name (4R)-4-(benzyloxycarbonylamino)decane-1-sulfonic acid cyclohexyl ester
Alternate Name(s) (4R)-4-(phenylmethoxycarbonylamino)-1-decanesulfonic acid cyclohexyl (4R)-4-(benzyloxycarbonylamino)decane-1-sulfonate cyclohexyl (4R)-4-(phenylmethoxycarbonylamino)decane-1-sulfonate
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Formula C24H39NO5S
InChI InChI=1S/C24H39NO5S/c1-2-3-4-9-15-22(25-24(26)29-20-21-13-7-5-8-14-21)16-12-19-31(27,28)30-23-17-10-6-11-18-23/h5,7-8,13-14,22-23H,2-4,6,9-12,15-20H2,1H3,(H,25,26)/t22-/m1/s1
InChIKey FNLUDNSTBZXSGX-JOCHJYFZSA-N
Molecular Weight 453.638 g/mol
SMILES N([C@@](CCCS(=O)(=O)OC1CCCCC1)(CCCCCC)[H])C(=O)OCc1ccccc1
SPLASH splash10-0006-4191000000-905e2dbae62a0cb8fe72
Source of Spectrum K1-0-1279-5
Wiley ID 1588503