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Isothiazolo[5,4-d]pyrimidin-4(5H)-one, 6-ethyl-3-methyl-
SpectraBase Compound ID uDEqusjEe6
InChI InChI=1S/C8H9N3OS/c1-3-5-9-7(12)6-4(2)11-13-8(6)10-5/h3H2,1-2H3,(H,9,10,12)
InChIKey WMKXEAUWVMWTQH-UHFFFAOYSA-N
Mol Weight 195.24 g/mol
Molecular Formula C8H9N3OS
Exact Mass 195.046633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6f8foSRH0zy
Name Isothiazolo[5,4-d]pyrimidin-4(5H)-one, 6-ethyl-3-methyl-
Alternate Name(s) 6-Ethyl-3-methyl-5H-isothiazolo(5,4-d)pyrimidin-4-one 6-Ethyl-3-methylisothiazolo[5,4-d]pyrimidin-4(5H)-one
CAS Registry Number 58648-97-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H9N3OS
InChI InChI=1S/C8H9N3OS/c1-3-5-9-7(12)6-4(2)11-13-8(6)10-5/h3H2,1-2H3,(H,9,10,12)
InChIKey WMKXEAUWVMWTQH-UHFFFAOYSA-N
Molecular Weight 195.240 g/mol
SMILES N1C(c2c(N=C1CC)snc2C)=O
SPLASH splash10-0002-1900000000-306278d4824b1d1ef8ea
Source of Spectrum Y-12-886-0
Wiley ID 1191779