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(2S,4S)-5-keto-4-[(1-mesitylsulfonylindol-3-yl)methyl]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester

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(2S,4S)-5-keto-4-[(1-mesitylsulfonylindol-3-yl)methyl]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester
SpectraBase Compound ID JwzyAjuQYso
InChI InChI=1S/C29H34N2O7S/c1-17-12-18(2)25(19(3)13-17)39(35,36)30-16-21(22-10-8-9-11-23(22)30)14-20-15-24(27(33)37-7)31(26(20)32)28(34)38-29(4,5)6/h8-13,16,20,24H,14-15H2,1-7H3/t20-,24-/m0/s1
InChIKey WYONNQYQFCCQQJ-RDPSFJRHSA-N
Mol Weight 554.7 g/mol
Molecular Formula C29H34N2O7S
Exact Mass 554.208673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQ66PjUuZzk
Name (2S,4S)-5-Keto-4-[(1-mesitylsulfonylindol-3-yl)methyl]pyrrolidine-1,2-dicarboxylic acid O1-tert-butyl ester O2-methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.208672610 u
Formula C29H34N2O7S
InChI InChI=1S/C29H34N2O7S/c1-17-12-18(2)25(19(3)13-17)39(35,36)30-16-21(22-10-8-9-11-23(22)30)14-20-15-24(27(33)37-7)31(26(20)32)28(34)38-29(4,5)6/h8-13,16,20,24H,14-15H2,1-7H3/t20-,24-/m0/s1
InChIKey WYONNQYQFCCQQJ-RDPSFJRHSA-N
Molecular Weight 554.658 g/mol
SMILES C=1N(S(C=2C(=CC(=CC2C)C)C)(=O)=O)C2=C(C1C[C@@]1(C(N(C(OC(C)(C)C)=O)[C@@](C1)(C(=O)OC)[H])=O)[H])C=CC=C2