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4-n-Butyl-3-phenylisoquinolin-1(2H)-one
SpectraBase Compound ID 1Xqmldb97Ol
InChI InChI=1S/C19H19NO/c1-2-3-11-16-15-12-7-8-13-17(15)19(21)20-18(16)14-9-5-4-6-10-14/h4-10,12-13H,2-3,11H2,1H3,(H,20,21)
InChIKey OOVZWXQDDWIWSO-UHFFFAOYSA-N
Mol Weight 277.37 g/mol
Molecular Formula C19H19NO
Exact Mass 277.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yGLM7mJOBE
Name 4-n-Butyl-3-phenylisoquinolin-1(2H)-one
Alternate Name(s) 4-Butyl-3-phenylisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO
InChI InChI=1S/C19H19NO/c1-2-3-11-16-15-12-7-8-13-17(15)19(21)20-18(16)14-9-5-4-6-10-14/h4-10,12-13H,2-3,11H2,1H3,(H,20,21)
InChIKey OOVZWXQDDWIWSO-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501884v
Molecular Weight 277.367 g/mol
SMILES N1C(=C(c2c(C1=O)cccc2)CCCC)c1ccccc1
SPLASH splash10-001i-1090000000-9b20cbe8c99fac398c6a
Source of Spectrum J-79-12079-7aa
Wiley ID 1755645