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4-n-Butyl-3-(cyclohex-1-en-1-yl)isoquinolin-1(2H)-one

View entire compound with spectra: 1 MS (GC)

4-n-Butyl-3-(cyclohex-1-en-1-yl)isoquinolin-1(2H)-one
SpectraBase Compound ID AIugJAMUVCl
InChI InChI=1S/C19H23NO/c1-2-3-11-16-15-12-7-8-13-17(15)19(21)20-18(16)14-9-5-4-6-10-14/h7-9,12-13H,2-6,10-11H2,1H3,(H,20,21)
InChIKey BFLPYALHTMFUCF-UHFFFAOYSA-N
Mol Weight 281.4 g/mol
Molecular Formula C19H23NO
Exact Mass 281.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jo1m646HfD
Name 4-n-Butyl-3-(cyclohex-1-en-1-yl)isoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23NO
InChI InChI=1S/C19H23NO/c1-2-3-11-16-15-12-7-8-13-17(15)19(21)20-18(16)14-9-5-4-6-10-14/h7-9,12-13H,2-6,10-11H2,1H3,(H,20,21)
InChIKey BFLPYALHTMFUCF-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501884v
Molecular Weight 281.399 g/mol
SMILES N1C(=C(c2c(C1=O)cccc2)CCCC)C1=CCCCC1
SPLASH splash10-000i-0290000000-76fa27ad0fe10a7b7932
Source of Spectrum J-79-12080-7ag
Synonyms 4-Butyl-3-(cyclohex-1-en-1-yl)isoquinolin-1(2H)-one
Wiley ID 1755651