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4-Benzyl-6-chloro-2-methoxyisoquinolin-1(2H)-one
SpectraBase Compound ID LB3HJg51wSL
InChI InChI=1S/C17H14ClNO2/c1-21-19-11-13(9-12-5-3-2-4-6-12)16-10-14(18)7-8-15(16)17(19)20/h2-8,10-11H,9H2,1H3
InChIKey SVHZVYJIRKMFKG-UHFFFAOYSA-N
Mol Weight 299.76 g/mol
Molecular Formula C17H14ClNO2
Exact Mass 299.071306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9A0jF98ZkFR
Name 4-Benzyl-6-chloro-2-methoxyisoquinolin-1(2H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.071306393 u
Formula C17H14ClNO2
InChI InChI=1S/C17H14ClNO2/c1-21-19-11-13(9-12-5-3-2-4-6-12)16-10-14(18)7-8-15(16)17(19)20/h2-8,10-11H,9H2,1H3
InChIKey SVHZVYJIRKMFKG-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710776
Molecular Weight 299.757 g/mol
Quality 187
Reported Formula C17H14ClNO2
SMILES C1(=CC=CC=C1)CC1=CN(C(C2=C1C=C(C=C2)Cl)=O)OC
SPLASH splash10-0fba-0982000000-cd9c0e610d9563b26756
Source of Spectrum ACI-56-SM30-3ea (DOI: 10.1002/anie.201710776)
Thin-Layer Chromatography 0.4 (pentane/EtOAc, 2:1)
Wiley ID 1896657