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(2R*,4S*)-2-BENZYL-4-(4-METHYLPHENYLSUFONAMIDO)-HEXANOIC-ACID

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(2R*,4S*)-2-BENZYL-4-(4-METHYLPHENYLSUFONAMIDO)-HEXANOIC-ACID
SpectraBase Compound ID JOaP9VbaAyI
InChI InChI=1S/C20H25NO5S/c1-3-18(14-17(20(22)23)13-16-7-5-4-6-8-16)21-26-27(24,25)19-11-9-15(2)10-12-19/h4-12,17-18,21H,3,13-14H2,1-2H3,(H,22,23)/t17-,18+/m0/s1
InChIKey DDPRKMIXGBCPPB-ZWKOTPCHSA-N
Mol Weight 391.48 g/mol
Molecular Formula C20H25NO5S
Exact Mass 391.145344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 69GncTSOpov
Name (2R*,4S*)-2-BENZYL-4-(4-METHYLPHENYLSUFONAMIDO)-HEXANOIC-ACID
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H25NO5S
InChI InChI=1S/C20H25NO5S/c1-3-18(14-17(20(22)23)13-16-7-5-4-6-8-16)21-26-27(24,25)19-11-9-15(2)10-12-19/h4-12,17-18,21H,3,13-14H2,1-2H3,(H,22,23)/t17-,18+/m0/s1
InChIKey DDPRKMIXGBCPPB-ZWKOTPCHSA-N
Literature Reference Author A.M.COSTERO,S.GIL,M.PARRA,P.RODRIGUEZ
Literature Reference Citation MOLECULES,15,9135(2010)
Literature Reference DOI 10.3390/molecules15129135
Molecular Weight 391.482 g/mol
Sample ID 72765
Solvent CDCl3