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2-METHYL-6-METHYLTHIO-ISOQUINOLINE-3,5,8-(2H)-TRIONE
SpectraBase Compound ID 52himxmcnTf
InChI InChI=1S/C11H9NO3S/c1-12-5-7-6(3-10(12)14)11(15)9(16-2)4-8(7)13/h3-5H,1-2H3
InChIKey FQUMKAMMIHTWOX-UHFFFAOYSA-N
Mol Weight 235.26 g/mol
Molecular Formula C11H9NO3S
Exact Mass 235.030314 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8EQmJUXGy0B
Name 2-Methyl-6-(methylthio)isoquinoline-3,5,8-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9NO3S
InChI InChI=1S/C11H9NO3S/c1-12-5-7-6(3-10(12)14)11(15)9(16-2)4-8(7)13/h3-5H,1-2H3
InChIKey FQUMKAMMIHTWOX-UHFFFAOYSA-N
Molecular Weight 235.257 g/mol
SMILES C1=2C(=CN(C(C2)=O)C)C(=O)C=C(C1=O)SC
SPLASH splash10-0050-8090000000-295d4dd6b92eedeed79b
Source of Spectrum B-46-213-0
Synonyms 2-Methyl-6-methylsulfanyl-isoquinoline-3,5,8-trione
Wiley ID 1236909