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METHYLSINHARIN;S-TRANS-(E)-3-(METHYLTHIO)-PROPENOIC-ACID-N-METHYL-PHENETHYLAMIDE
SpectraBase Compound ID Er8m8gj0G5b
InChI InChI=1S/C13H17NOS/c1-14(13(15)9-11-16-2)10-8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3/b11-9+
InChIKey MJMYEUZTXGLJEX-PKNBQFBNSA-N
Mol Weight 235.34 g/mol
Molecular Formula C13H17NOS
Exact Mass 235.103085 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7IH8Ndmn13t
Name METHYLSINHARIN;S-TRANS-(E)-3-(METHYLTHIO)-PROPENOIC-ACID-N-METHYL-PHENETHYLAMIDE
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H17NOS
InChI InChI=1S/C13H17NOS/c1-14(13(15)9-11-16-2)10-8-12-6-4-3-5-7-12/h3-7,9,11H,8,10H2,1-2H3/b11-9+
InChIKey MJMYEUZTXGLJEX-PKNBQFBNSA-N
Literature Reference Author S.HINTERBERGER,O.HOFER,H.GREGER
Literature Reference Citation TETRAHEDRON,50,6279(1994)
Literature Reference DOI 10.1016/S0040-4020(01)80647-5
Molecular Weight 235.344 g/mol
Solvent CDCl3
Source File Reference UWCS21006