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4-Benzyl-2,7-dimethoxyisoquinolin-1(2H)-one
SpectraBase Compound ID 5voLuFA9cWu
InChI InChI=1S/C18H17NO3/c1-21-15-8-9-16-14(10-13-6-4-3-5-7-13)12-19(22-2)18(20)17(16)11-15/h3-9,11-12H,10H2,1-2H3
InChIKey CRVAPMOGLXABEO-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Bjz4UI2hG8
Name 4-Benzyl-2,7-dimethoxyisoquinolin-1(2H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.120843408 u
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-21-15-8-9-16-14(10-13-6-4-3-5-7-13)12-19(22-2)18(20)17(16)11-15/h3-9,11-12H,10H2,1-2H3
InChIKey CRVAPMOGLXABEO-UHFFFAOYSA-N
Instrument Name Finnigan SSQ Finnigan 7000
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710776
Quality 13
Reported Formula C18H17NO3
SMILES C1(=CC=CC=C1)CC1=CN(C(C2=C1C=CC(=C2)OC)=O)OC
SPLASH splash10-0002-0090000000-b63fd8004515be3faf6a
Source of Spectrum ACI-56-SM33-3ia (DOI: 10.1002/anie.201710776)
Thin-Layer Chromatography 0.2 (pentane/EtOAc, 2:1)
Wiley ID 1896662