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7-(Methylthio)isoquinolin-1(2H)-one
SpectraBase Compound ID IV5kowoamLk
InChI InChI=1S/C10H9NOS/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-6H,1H3,(H,11,12)
InChIKey VRMNYNRJBNBASE-UHFFFAOYSA-N
Mol Weight 191.25 g/mol
Molecular Formula C10H9NOS
Exact Mass 191.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4EtuabmaUV
Name 7-(Methylthio)isoquinolin-1(2H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 191.040485087 u
Formula C10H9NOS
InChI InChI=1S/C10H9NOS/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-6H,1H3,(H,11,12)
InChIKey VRMNYNRJBNBASE-UHFFFAOYSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201500173
Quality 536
Reported Formula C10H9NOS
SMILES N1C=CC2=C(C1=O)C=C(C=C2)SC
SPLASH splash10-0006-7900000000-d5bb26df4b9423c34866
Source of Spectrum QE-21-SM18-S4 (DOI: 10.1002/chem.201500173)
Thin-Layer Chromatography 0.24 (EtOAc/Et2O, 1:1)
Wiley ID 1906448