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3,4-Di-n-butylisoquinolin-1(2H)-one
SpectraBase Compound ID DKt8zclQHz6
InChI InChI=1S/C17H23NO/c1-3-5-9-14-13-10-7-8-11-15(13)17(19)18-16(14)12-6-4-2/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,18,19)
InChIKey VIDXORBAKKKKNJ-UHFFFAOYSA-N
Mol Weight 257.38 g/mol
Molecular Formula C17H23NO
Exact Mass 257.177964 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HuqBR0ymTli
Name 3,4-Di-n-butylisoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H23NO
InChI InChI=1S/C17H23NO/c1-3-5-9-14-13-10-7-8-11-15(13)17(19)18-16(14)12-6-4-2/h7-8,10-11H,3-6,9,12H2,1-2H3,(H,18,19)
InChIKey VIDXORBAKKKKNJ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501884v
Molecular Weight 257.377 g/mol
SMILES N1C(c2ccccc2C(=C1CCCC)CCCC)=O
SPLASH splash10-074i-0590000000-a9dfb066e8cbda21869f
Source of Spectrum J-79-12079-5ac
Synonyms 3,4-Dibutylisoquinolin-1(2H)-one
Wiley ID 1755640