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1-(METHYLTHIO)-ISOQUINOLIN-3-YL-PHENYLACETATE

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1-(METHYLTHIO)-ISOQUINOLIN-3-YL-PHENYLACETATE
SpectraBase Compound ID LcJsLBzNQiQ
InChI InChI=1S/C18H15NO2S/c1-22-18-15-10-6-5-9-14(15)12-16(19-18)21-17(20)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKey NRVCKTMKUBRMFD-UHFFFAOYSA-N
Mol Weight 309.38 g/mol
Molecular Formula C18H15NO2S
Exact Mass 309.08235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D5tNdABwFFM
Name 1-(METHYLTHIO)-ISOQUINOLIN-3-YL-PHENYLACETATE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H15NO2S
InChI InChI=1S/C18H15NO2S/c1-22-18-15-10-6-5-9-14(15)12-16(19-18)21-17(20)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKey NRVCKTMKUBRMFD-UHFFFAOYSA-N
Literature Reference Author A.HERRERA,R.MARTINEZ-ALVAREZ,P.RAMIRO,J.ALMY,D.MOLERO,A.SANC HEZ
Literature Reference Citation EUR.J.ORG.CHEM.,3332(2006)
Molecular Weight 309.383 g/mol
Sample ID 32589
Solvent CDCl3