John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EtJESjkrY17 SpectraBase Spectrum ID=8jYIDvqCBg

(accessed ).
[[(4-methoxybenzyl)-(4-methylpent-4-enoyl)amino]thio]methanethioic acid O-ethyl ester
SpectraBase Compound ID EtJESjkrY17
InChI InChI=1S/C17H23NO3S2/c1-5-21-17(22)23-18(16(19)11-6-13(2)3)12-14-7-9-15(20-4)10-8-14/h7-10H,2,5-6,11-12H2,1,3-4H3
InChIKey UIDNOUVTXZXCCA-UHFFFAOYSA-N
Mol Weight 353.5 g/mol
Molecular Formula C17H23NO3S2
Exact Mass 353.111937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8jYIDvqCBg
Name [[(4-methoxybenzyl)-(4-methylpent-4-enoyl)amino]thio]methanethioic acid O-ethyl ester
Compound Number 2C
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H23NO3S2
InChI InChI=1S/C17H23NO3S2/c1-5-21-17(22)23-18(16(19)11-6-13(2)3)12-14-7-9-15(20-4)10-8-14/h7-10H,2,5-6,11-12H2,1,3-4H3
InChIKey UIDNOUVTXZXCCA-UHFFFAOYSA-N
Literature Reference Author F.GAGOSZ,C.MOUTRILLE,S.Z.ZARD
Literature Reference Citation ORG.LETTERS,4,2707(2002)
Literature Reference DOI 10.1021/ol026221m
Molecular Weight 353.495 g/mol
Sample ID 28401
Solvent CDCl3
SpectraBase Batch ID LnRE5UvByWY