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N-ACETYL-CYSTEINE-[S-(E,E)-3,7-DIMETHYL-2,6-OCTADIENE-8-[(E)-4-N-(2-DIAZO-3,3,3-TRIFLUOROPROPIONAMIDO)]]-METHYLESTER;DESIRED-ISOMER

View entire compound with spectra: 1 NMR

N-ACETYL-CYSTEINE-[S-(E,E)-3,7-DIMETHYL-2,6-OCTADIENE-8-[(E)-4-N-(2-DIAZO-3,3,3-TRIFLUOROPROPIONAMIDO)]]-METHYLESTER;DESIRED-ISOMER
SpectraBase Compound ID 4LWAZ8AFp4Z
InChI InChI=1S/C19H27F3N4O4S/c1-12(8-9-31-11-15(18(29)30-4)25-14(3)27)6-5-7-13(2)10-24-17(28)16(26-23)19(20,21)22/h7-8,15H,5-6,9-11H2,1-4H3,(H,24,28)(H,25,27)/b12-8+,13-7+/t15-/m1/s1
InChIKey LGGWVZJWSBRNCW-HNFPJAEESA-N
Mol Weight 464.5 g/mol
Molecular Formula C19H27F3N4O4S
Exact Mass 464.170511 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KdgXpyNfiln
Name N-ACETYL-CYSTEINE-[S-(E,E)-3,7-DIMETHYL-2,6-OCTADIENE-8-[(E)-4-N-(2-DIAZO-3,3,3-TRIFLUOROPROPIONAMIDO)]]-METHYLESTER;DESIRED-ISOMER
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H27F3N4O4S
InChI InChI=1S/C19H27F3N4O4S/c1-12(8-9-31-11-15(18(29)30-4)25-14(3)27)6-5-7-13(2)10-24-17(28)16(26-23)19(20,21)22/h7-8,15H,5-6,9-11H2,1-4H3,(H,24,28)(H,25,27)/b12-8+,13-7+/t15-/m1/s1
InChIKey LGGWVZJWSBRNCW-HNFPJAEESA-N
Literature Reference Author T.A.KALE,M.D.DISTEFANO
Literature Reference Citation ORG.LETTERS,5,609(2003)
Literature Reference DOI 10.1021/ol026752a
Solvent CDCl3
Source File Reference UWLU49473