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S-[(E,E)-8-O-(2-N-MEHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-L-CYSTEINE-METHYLESTER
SpectraBase Compound ID FJjrRQQGw46
InChI InChI=1S/C22H32N2O4S/c1-16(12-13-29-15-19(23)22(26)27-4)8-7-9-17(2)14-28-21(25)18-10-5-6-11-20(18)24-3/h5-6,9-12,19,24H,7-8,13-15,23H2,1-4H3/b16-12+,17-9+/t19-/m0/s1
InChIKey LAIKDRPVCBTLDS-OZWCYXFXSA-N
Mol Weight 420.6 g/mol
Molecular Formula C22H32N2O4S
Exact Mass 420.208279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8ZtX79pBpV7
Name S-[(E,E)-8-O-(2-N-MEHYL-AMINOBENZOYL)-3,7-DIMETHYL-2,6-OCTANDIENE]-L-CYSTEINE-METHYLESTER
Compound Number 9A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H32N2O4S
InChI InChI=1S/C22H32N2O4S/c1-16(12-13-29-15-19(23)22(26)27-4)8-7-9-17(2)14-28-21(25)18-10-5-6-11-20(18)24-3/h5-6,9-12,19,24H,7-8,13-15,23H2,1-4H3/b16-12+,17-9+/t19-/m0/s1
InChIKey LAIKDRPVCBTLDS-OZWCYXFXSA-N
Literature Reference Author K.KUHN,D.J.OWEN,B.BADER,A.WITTINGHOFER,J.KUHLMANN,H.WALDMANN
Literature Reference Citation J.AM.CHEM.SOC.,123,1023(2001)
Literature Reference DOI 10.1021/ja002723o
Molecular Weight 420.567 g/mol
Solvent CDCl3
Source File Reference UWSI23407