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4-n-Butyl-3-(thiophen-2-yl)isoquinolin-1(2H)-one
SpectraBase Compound ID Ivp3D9eGgj1
InChI InChI=1S/C17H17NOS/c1-2-3-7-13-12-8-4-5-9-14(12)17(19)18-16(13)15-10-6-11-20-15/h4-6,8-11H,2-3,7H2,1H3,(H,18,19)
InChIKey VDFBZLZKGRQJPB-UHFFFAOYSA-N
Mol Weight 283.39 g/mol
Molecular Formula C17H17NOS
Exact Mass 283.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4nOSWuZCtwT
Name 4-n-Butyl-3-(thiophen-2-yl)isoquinolin-1(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NOS
InChI InChI=1S/C17H17NOS/c1-2-3-7-13-12-8-4-5-9-14(12)17(19)18-16(13)15-10-6-11-20-15/h4-6,8-11H,2-3,7H2,1H3,(H,18,19)
InChIKey VDFBZLZKGRQJPB-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501884v
Molecular Weight 283.389 g/mol
SMILES N1C(c2c(C(=C1c1cccs1)CCCC)cccc2)=O
SPLASH splash10-0006-0090000000-663c83e2dab66c670dc6
Source of Spectrum J-79-12080-7af
Synonyms 4-Butyl-3-(thiophen-2-yl)isoquinolin-1(2H)-one
Wiley ID 1755650