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3,4-Dihydro-5-methyl-1(2H)-isoquinolinone
SpectraBase Compound ID 3Dxv4ezUDrQ
InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey RLLZPXDJYADIEU-UHFFFAOYSA-N
Mol Weight 161.2 g/mol
Molecular Formula C10H11NO
Exact Mass 161.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KKpeXmfkucn
Name 3,4-Dihydro-5-methyl-1(2H)-isoquinolinone
Alternate Name(s) 5-methyl-3,4-dihydro-1(2H)-isoquinolinone 5-methyl-3,4-dihydro-2H-isoquinolin-1-one 5-methyl-3,4-dihydroisocarbostyril
Comments Less than 3 mono-isotopic peaks
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Formula C10H11NO
InChI InChI=1S/C10H11NO/c1-7-3-2-4-9-8(7)5-6-11-10(9)12/h2-4H,5-6H2,1H3,(H,11,12)
InChIKey RLLZPXDJYADIEU-UHFFFAOYSA-N
Molecular Weight 161.204 g/mol
SMILES N1CCc2c(C1=O)cccc2C
SPLASH splash10-01q9-0900000000-d8a74e8083397767b668
Source of Spectrum Y-38-964-2
Wiley ID 848579