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19,20-Dihydro-20-(methylthio)-vallesiachotamonitrile

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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 ASOtUNLOWex
Name Iso-19,20-dihydro-20-(methylthio)-vallesiachotamonitrile
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name SF = 300 MHz
Literature Reference J. Org. Chem. 53, 2274 (1988).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3