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3-(3-Chlorobutyl)isoquinolin-1(2H)-one

View entire compound with spectra: 1 MS (GC)

3-(3-Chlorobutyl)isoquinolin-1(2H)-one
SpectraBase Compound ID HEFp6CmXJRD
InChI InChI=1S/C13H14ClNO/c1-9(14)6-7-11-8-10-4-2-3-5-12(10)13(16)15-11/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKey DVGXXGVMFRHURY-UHFFFAOYSA-N
Mol Weight 235.71 g/mol
Molecular Formula C13H14ClNO
Exact Mass 235.076392 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID In9p2pXFrqD
Name 3-(3-Chlorobutyl)isoquinolin-1(2H)-one
Alternate Name(s) 3-(3-Chlorobutyl)-1(2H)-isoquinolinone
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Formula C13H14ClNO
InChI InChI=1S/C13H14ClNO/c1-9(14)6-7-11-8-10-4-2-3-5-12(10)13(16)15-11/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKey DVGXXGVMFRHURY-UHFFFAOYSA-N
Molecular Weight 235.714 g/mol
SMILES N1C(=Cc2c(C1=O)cccc2)CCC(Cl)C
SPLASH splash10-08g0-9700000000-ceadcd6f618d8e46a6a1
Source of Spectrum J-58-3647-19
Wiley ID 1237064