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2-Methoxy-4-propylisoquinolin-1(2H)-one
SpectraBase Compound ID 8nzxZsilnpQ
InChI InChI=1S/C13H15NO2/c1-3-6-10-9-14(16-2)13(15)12-8-5-4-7-11(10)12/h4-5,7-9H,3,6H2,1-2H3
InChIKey UHGFBNPFLDWEAL-UHFFFAOYSA-N
Mol Weight 217.27 g/mol
Molecular Formula C13H15NO2
Exact Mass 217.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G2fHqiA8xKU
Name 2-Methoxy-4-propylisoquinolin-1(2H)-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15NO2
InChI InChI=1S/C13H15NO2/c1-3-6-10-9-14(16-2)13(15)12-8-5-4-7-11(10)12/h4-5,7-9H,3,6H2,1-2H3
InChIKey UHGFBNPFLDWEAL-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710776
Molecular Weight 217.268 g/mol
Quality 155
Reported Formula C13H15NO2
SMILES C(C)CC1=CN(C(C2=C1C=CC=C2)=O)OC
SPLASH splash10-00kr-0930000000-66796a3708f55863a2d0
Source of Spectrum ACI-56-SM35-3ae (DOI: 10.1002/anie.201710776)
Thin-Layer Chromatography 0.4 (pentane/EtOA, 2:1)
Wiley ID 1896650