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Iso-methyl-19,20-dihydro-20-(methylthio)-vallesiachotamate

View entire compound with spectra: 4 NMR

Iso-methyl-19,20-dihydro-20-(methylthio)-vallesiachotamate
SpectraBase Compound ID 2vmMtjcf2vy
InChI InChI=1S/C23H28N2O4S/c1-5-23(30-4,22(27)29-3)17-12-19-20-15(14-8-6-7-9-18(14)24-20)10-11-25(19)13-16(17)21(26)28-2/h6-9,13,17,19,24H,5,10-12H2,1-4H3
InChIKey ALHIXNJTTYYBOQ-UHFFFAOYSA-N
Mol Weight 428.55 g/mol
Molecular Formula C23H28N2O4S
Exact Mass 428.176979 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9bQelI28yJk
Name ISO-METHYL-19,20-DIHYDRO-20-(METHYLTHIO)-VALLESIACHOTAMATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28N2O4S
InChI InChI=1S/C23H28N2O4S/c1-5-23(30-4,22(27)29-3)17-12-19-20-15(14-8-6-7-9-18(14)24-20)10-11-25(19)13-16(17)21(26)28-2/h6-9,13,17,19,24H,5,10-12H2,1-4H3
InChIKey ALHIXNJTTYYBOQ-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 428.546 g/mol
Solvent CDCl3
Source File Reference UNIW22422