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3,4-Di-n-propylisoquinolin-1(2H)-one
SpectraBase Compound ID KGZar9P92Jq
InChI InChI=1S/C15H19NO/c1-3-7-12-11-9-5-6-10-13(11)15(17)16-14(12)8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKey PHZPEJVKPDDZNP-UHFFFAOYSA-N
Mol Weight 229.32 g/mol
Molecular Formula C15H19NO
Exact Mass 229.146664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FelHiDVOUfI
Name 3,4-Di-n-propylisoquinolin-1(2H)-one
Alternate Name(s) 3,4-Di-(n-propyl)isoquinolin-1(2H)-one 3,4-Dipropylisoquinolin-1(2H)-one 3,4-Dipropyl-2H-isoquinolin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H19NO
InChI InChI=1S/C15H19NO/c1-3-7-12-11-9-5-6-10-13(11)15(17)16-14(12)8-4-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,16,17)
InChIKey PHZPEJVKPDDZNP-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501884v
Molecular Weight 229.323 g/mol
SMILES N1C(c2ccccc2C(=C1CCC)CCC)=O
SPLASH splash10-0udi-0190000000-e6a8f61d69a0d92084cb
Source of Spectrum J-79-12078-5aa
Wiley ID 1755638