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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D5Q2nzxUYnX
Name (1-methylsulfanyl-3-isoquinolyl) 2-phenylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 309.383 g/mol
SMILES C(Cc1ccccc1)(=O)Oc1nc(c2c(c1)cccc2)SC
SPLASH splash10-0006-3900000000-df115d059ace5840f1bd
Source of Spectrum K1-0-3335-6
Synonyms (1-methylsulfanylisoquinolin-3-yl) 2-phenylacetate (1-methylsulfanylisoquinolin-3-yl) 2-phenylethanoate 2-Phenylacetic acid [1-(methylthio)-3-isoquinolinyl] ester
Wiley ID 1589180