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DEAMINODEOXYCOLCHINOL-7-ONE-METHYLTHIOETHER
SpectraBase Compound ID 2810MqnBxZq
InChI InChI=1S/C19H20O4S/c1-21-16-9-11-5-8-15(20)14-10-12(24-4)6-7-13(14)17(11)19(23-3)18(16)22-2/h6-7,9-10H,5,8H2,1-4H3
InChIKey VWQSIMWTAVJGIO-UHFFFAOYSA-N
Mol Weight 344.43 g/mol
Molecular Formula C19H20O4S
Exact Mass 344.10823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92UUeszXyZC
Name DEAMINODEOXYCOLCHINOL-7-ONE-METHYLTHIOETHER
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20O4S
InChI InChI=1S/C19H20O4S/c1-21-16-9-11-5-8-15(20)14-10-12(24-4)6-7-13(14)17(11)19(23-3)18(16)22-2/h6-7,9-10H,5,8H2,1-4H3
InChIKey VWQSIMWTAVJGIO-UHFFFAOYSA-N
Literature Reference Author Q.SHI,K.CHEN,A.BROSSI,P.VERDIER-PINARD,E.HAMEL,A.T.M.PHAIL,A .TROPSHA,K.H.LEE
Literature Reference Citation J.ORG.CHEM.,63,4018(1998)
Literature Reference DOI 10.1021/jo980073p
Molecular Weight 344.425 g/mol
Sample ID 28103
Solvent CDCl3