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3-(4-isoamoxyphenyl)-3-(tosylamino)propionic acid
SpectraBase Compound ID CmUJVWLRBew
InChI InChI=1S/C21H27NO5S/c1-15(2)12-13-27-18-8-6-17(7-9-18)20(14-21(23)24)22-28(25,26)19-10-4-16(3)5-11-19/h4-11,15,20,22H,12-14H2,1-3H3,(H,23,24)
InChIKey OUGXRQXMRLELMB-UHFFFAOYSA-N
Mol Weight 405.51 g/mol
Molecular Formula C21H27NO5S
Exact Mass 405.160994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7kQGn2ulUBZ
Name 3-(4-isoamoxyphenyl)-3-(tosylamino)propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H27NO5S
InChI InChI=1S/C21H27NO5S/c1-15(2)12-13-27-18-8-6-17(7-9-18)20(14-21(23)24)22-28(25,26)19-10-4-16(3)5-11-19/h4-11,15,20,22H,12-14H2,1-3H3,(H,23,24)
InChIKey OUGXRQXMRLELMB-UHFFFAOYSA-N
Molecular Weight 405.509 g/mol
SMILES OC(CC(NS(c1ccc(cc1)C)(=O)=O)c1ccc(cc1)OCCC(C)C)=O
SPLASH splash10-006x-3921000000-03bb0076bb9a1f995125
Synonyms 3-(4-isopentyloxyphenyl)-3-(p-tolylsulfonylamino)propanoic acid 3-[4-(3-methylbutoxy)phenyl]-3-[(4-methylphenyl)sulfonylamino]propanoic acid
Wiley ID 1452054