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3-(3-Chloranylpropyl)-2H-isoquinolin-1-one
SpectraBase Compound ID DnVDje6GAif
InChI InChI=1S/C12H12ClNO/c13-7-3-5-10-8-9-4-1-2-6-11(9)12(15)14-10/h1-2,4,6,8H,3,5,7H2,(H,14,15)
InChIKey MSFGRJKVZUIVPP-UHFFFAOYSA-N
Mol Weight 221.69 g/mol
Molecular Formula C12H12ClNO
Exact Mass 221.060742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID SOrQbz0zAW
Name 3-(3-Chloranylpropyl)-2H-isoquinolin-1-one
Alternate Name(s) 3-(3-Chloropropyl)-2H-isoquinolin-1-one 3-(3-Chloropropyl)isocarbostyril
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClNO
InChI InChI=1S/C12H12ClNO/c13-7-3-5-10-8-9-4-1-2-6-11(9)12(15)14-10/h1-2,4,6,8H,3,5,7H2,(H,14,15)
InChIKey MSFGRJKVZUIVPP-UHFFFAOYSA-N
Molecular Weight 221.687 g/mol
SMILES N1C(=Cc2c(C1=O)cccc2)CCCCl
SPLASH splash10-0ab9-0970000000-05f6ca91127b0ef09d7d
Source of Spectrum J-58-3647-19
Wiley ID 1221197