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19,20-Dihydro-20-(methylthio)-vallesiachotamonitrile
SpectraBase Compound ID IqKj1GD7Rkf
InChI InChI=1S/C22H25N3O2S/c1-4-22(13-23,28-3)17-11-19-20-15(14-7-5-6-8-18(14)24-20)9-10-25(19)12-16(17)21(26)27-2/h5-8,12,17,19,24H,4,9-11H2,1-3H3
InChIKey LORKFNXFVQSWLB-UHFFFAOYSA-N
Mol Weight 395.52 g/mol
Molecular Formula C22H25N3O2S
Exact Mass 395.166748 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 90zJgkIX5hH
Name 19,20-DIHYDRO-20-(METHYLTHIO)-VALLESIACHOTAMONITRILE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H25N3O2S
InChI InChI=1S/C22H25N3O2S/c1-4-22(13-23,28-3)17-11-19-20-15(14-7-5-6-8-18(14)24-20)9-10-25(19)12-16(17)21(26)27-2/h5-8,12,17,19,24H,4,9-11H2,1-3H3
InChIKey LORKFNXFVQSWLB-UHFFFAOYSA-N
Literature Reference Author D.SPITZNER,T.ZAUBNITZER
Literature Reference Citation J.ORG.CHEM.,53,2274(1988)
Literature Reference DOI 10.1021/jo00245a027
Molecular Weight 395.519 g/mol
Solvent CDCl3
Source File Reference UNIW22419