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4-n-Butyl-3-(4-fluorophenyl)isoquinolin-1(2H)-one
SpectraBase Compound ID C2ZfxPBBM0e
InChI InChI=1S/C19H18FNO/c1-2-3-6-16-15-7-4-5-8-17(15)19(22)21-18(16)13-9-11-14(20)12-10-13/h4-5,7-12H,2-3,6H2,1H3,(H,21,22)
InChIKey UWEFAIALPBLAII-UHFFFAOYSA-N
Mol Weight 295.36 g/mol
Molecular Formula C19H18FNO
Exact Mass 295.137242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AVY7tkd3z8x
Name 4-n-Butyl-3-(4-fluorophenyl)isoquinolin-1(2H)-one
Alternate Name(s) 4-Butyl-3-(4-fluorophenyl)isoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18FNO
InChI InChI=1S/C19H18FNO/c1-2-3-6-16-15-7-4-5-8-17(15)19(22)21-18(16)13-9-11-14(20)12-10-13/h4-5,7-12H,2-3,6H2,1H3,(H,21,22)
InChIKey UWEFAIALPBLAII-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501884v
Molecular Weight 295.357 g/mol
SMILES N1C(c2c(C(=C1c1ccc(cc1)F)CCCC)cccc2)=O
SPLASH splash10-0udi-0090000000-71d6b3fb71d22701f24a
Source of Spectrum J-79-12079-7ac
Wiley ID 1755647