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N-Propenyl-3-butylisoquinolin-1(2H)-one
SpectraBase Compound ID KFPL3rlMCjx
InChI InChI=1S/C16H19NO/c1-3-5-9-14-12-13-8-6-7-10-15(13)16(18)17(14)11-4-2/h4,6-8,10-12H,3,5,9H2,1-2H3/b11-4+
InChIKey RLPVJGSBJKFUCC-NYYWCZLTSA-N
Mol Weight 241.33 g/mol
Molecular Formula C16H19NO
Exact Mass 241.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3HbquiwhOWf
Name N-Propenyl-3-butylisoquinolin-1(2H)-one
CAS Registry Number 139583-96-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19NO
InChI InChI=1S/C16H19NO/c1-3-5-9-14-12-13-8-6-7-10-15(13)16(18)17(14)11-4-2/h4,6-8,10-12H,3,5,9H2,1-2H3/b11-4+
InChIKey RLPVJGSBJKFUCC-NYYWCZLTSA-N
Molecular Weight 241.334 g/mol
SMILES C1(N(C(=Cc2ccccc12)CCCC)\C=C\C)=O
SPLASH splash10-014l-3930000000-c38b9575eef183ca574f
Source of Spectrum J-57-2705-25
Synonyms 3-Butyl-2-[(1E)-1-propenyl]-1(2H)-isoquinolinone
Wiley ID 1244333