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4-Benzyl-2-methoxyisoquinolin-1(2H)-one
SpectraBase Compound ID 6NqrcVDjef9
InChI InChI=1S/C17H15NO2/c1-20-18-12-14(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)17(18)19/h2-10,12H,11H2,1H3
InChIKey QACALGFXFPDXNB-UHFFFAOYSA-N
Mol Weight 265.31 g/mol
Molecular Formula C17H15NO2
Exact Mass 265.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71mYaJ30t3Q
Name 4-Benzyl-2-methoxyisoquinolin-1(2H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15NO2
InChI InChI=1S/C17H15NO2/c1-20-18-12-14(11-13-7-3-2-4-8-13)15-9-5-6-10-16(15)17(18)19/h2-10,12H,11H2,1H3
InChIKey QACALGFXFPDXNB-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710776
Molecular Weight 265.312 g/mol
Quality 132
Reported Formula C17H15NO2
SMILES C1(=CC=CC=C1)CC1=CN(C(C2=C1C=CC=C2)=O)OC
SPLASH splash10-0690-0490000000-766b8b8372eb6d46aaf6
Source of Spectrum ACI-56-SM28-3aa (DOI: 10.1002/anie.201710776)
Thin-Layer Chromatography 0.3 (pentane/EtOAc, 2:1)
Wiley ID 1896646