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[[[2-(1-cyclohex-2-enyl)acetyl]-isobutyl-amino]thio]methanethioic acid O-ethyl ester
SpectraBase Compound ID KDep1Zwb1ZZ
InChI InChI=1S/C15H25NO2S2/c1-4-18-15(19)20-16(11-12(2)3)14(17)10-13-8-6-5-7-9-13/h6,8,12-13H,4-5,7,9-11H2,1-3H3
InChIKey NIQJIECSXKBQHI-UHFFFAOYSA-N
Mol Weight 315.49 g/mol
Molecular Formula C15H25NO2S2
Exact Mass 315.132671 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGICWkuPuN9
Name [[[2-(1-cyclohex-2-enyl)acetyl]-isobutyl-amino]thio]methanethioic acid O-ethyl ester
Compound Number 2F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H25NO2S2
InChI InChI=1S/C15H25NO2S2/c1-4-18-15(19)20-16(11-12(2)3)14(17)10-13-8-6-5-7-9-13/h6,8,12-13H,4-5,7,9-11H2,1-3H3
InChIKey NIQJIECSXKBQHI-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 315.489 g/mol
Sample ID 28403
Solvent CDCl3