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2-(benzyloxycarbonylamino)-4-phenyl-butane-1-sulfonic acid cyclohexyl ester
SpectraBase Compound ID ASACIqxPUvz
InChI InChI=1S/C24H31NO5S/c26-24(29-18-21-12-6-2-7-13-21)25-22(17-16-20-10-4-1-5-11-20)19-31(27,28)30-23-14-8-3-9-15-23/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2,(H,25,26)
InChIKey IFIYJELIAHIQQB-UHFFFAOYSA-N
Mol Weight 445.57 g/mol
Molecular Formula C24H31NO5S
Exact Mass 445.192294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3SrUqkSGik5
Name 2-(benzyloxycarbonylamino)-4-phenyl-butane-1-sulfonic acid cyclohexyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H31NO5S
InChI InChI=1S/C24H31NO5S/c26-24(29-18-21-12-6-2-7-13-21)25-22(17-16-20-10-4-1-5-11-20)19-31(27,28)30-23-14-8-3-9-15-23/h1-2,4-7,10-13,22-23H,3,8-9,14-19H2,(H,25,26)
InChIKey IFIYJELIAHIQQB-UHFFFAOYSA-N
Molecular Weight 445.574 g/mol
SMILES N(C(=O)OCc1ccccc1)C(CS(OC1CCCCC1)(=O)=O)CCc1ccccc1
SPLASH splash10-0006-9530000000-ed0c17b5b914212ba8a7
Source of Spectrum C5-2003-1864-6
Synonyms 4-Phenyl-2-(phenylmethoxycarbonylamino)-1-butanesulfonic acid cyclohexyl 2-(benzyloxycarbonylamino)-4-phenyl-butane-1-sulfonate cyclohexyl 4-phenyl-2-(phenylmethoxycarbonylamino)butane-1-sulfonate
Wiley ID 1615762