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METHYL-20-DEETHYL-2,16-DIDEHYDRO-6-ALPHA-(METHYLTHIO)-TUBIFOLIDINE-1-CARBOXYLATE
SpectraBase Compound ID 4ffTfFbuKMf
InChI InChI=1S/C19H22N2O2S/c1-23-18(22)21-14-6-4-3-5-13(14)19-15-9-12(10-16(19)21)7-8-20(15)11-17(19)24-2/h3-6,10,12,15,17H,7-9,11H2,1-2H3/t12?,15?,17-,19+/m1/s1
InChIKey AVFJELVXQGENKG-JKULFATJSA-N
Mol Weight 342.46 g/mol
Molecular Formula C19H22N2O2S
Exact Mass 342.140199 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cu8cwgwJ7j3
Name METHYL-20-DEETHYL-2,16-DIDEHYDRO-6-ALPHA-(METHYLTHIO)-TUBIFOLIDINE-1-CARBOXYLATE
CAS Registry Number 143370-92-7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H22N2O2S
InChI InChI=1S/C19H22N2O2S/c1-23-18(22)21-14-6-4-3-5-13(14)19-15-9-12(10-16(19)21)7-8-20(15)11-17(19)24-2/h3-6,10,12,15,17H,7-9,11H2,1-2H3/t12?,15?,17-,19+/m1/s1
InChIKey AVFJELVXQGENKG-JKULFATJSA-N
Literature Reference Author M.AMAT,J.BOSCH
Literature Reference Citation J.ORG.CHEM.,57,5792(1992)
Literature Reference DOI 10.1021/jo00047a047
Molecular Weight 342.456 g/mol
Solvent CDCl3
Source File Reference UWCS358