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3-(9-anthracenylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid tert-butyl ester
SpectraBase Compound ID 90Z6vyFgAB0
InChI InChI=1S/C28H29NO5S/c1-28(2,3)34-26(30)18-25(19-13-15-22(33-4)16-14-19)29-35(31,32)27-23-11-7-5-9-20(23)17-21-10-6-8-12-24(21)27/h5-17,25,29H,18H2,1-4H3
InChIKey JKZXEIMVVNNDRF-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C28H29NO5S
Exact Mass 491.176644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TQBlmYuga
Name 3-(9-anthracenylsulfonylamino)-3-(4-methoxyphenyl)propanoic acid tert-butyl ester
Alternate Name(s) 3-(9-anthrylsulfonylamino)-3-(4-methoxyphenyl)propionic acid tert-butyl ester tert-Butyl 3-(anthracen-9-ylsulfonylamino)-3-(4-methoxyphenyl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H29NO5S
InChI InChI=1S/C28H29NO5S/c1-28(2,3)34-26(30)18-25(19-13-15-22(33-4)16-14-19)29-35(31,32)27-23-11-7-5-9-20(23)17-21-10-6-8-12-24(21)27/h5-17,25,29H,18H2,1-4H3
InChIKey JKZXEIMVVNNDRF-UHFFFAOYSA-N
Molecular Weight 491.602 g/mol
SMILES N(S(c1c2c(cccc2)cc2c1cccc2)(=O)=O)C(CC(OC(C)(C)C)=O)c1ccc(cc1)OC
SPLASH splash10-056u-0930000000-6f8666b019ee4b2c04b3
Source of Spectrum F-49-11338-8
Wiley ID 789024