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3-((3,5-dimethylbenzyl)oxy)-2-methylisoindolin-1-one
SpectraBase Compound ID B2zbKeYkttQ
InChI InChI=1S/C18H19NO2/c1-12-8-13(2)10-14(9-12)11-21-18-16-7-5-4-6-15(16)17(20)19(18)3/h4-10,18H,11H2,1-3H3
InChIKey ITWOAZVISFAPMM-UHFFFAOYSA-N
Mol Weight 281.35 g/mol
Molecular Formula C18H19NO2
Exact Mass 281.141579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TIm4B8mBE
Name 3-((3,5-dimethylbenzyl)oxy)-2-methylisoindolin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 281.141578854 u
Formula C18H19NO2
InChI InChI=1S/C18H19NO2/c1-12-8-13(2)10-14(9-12)11-21-18-16-7-5-4-6-15(16)17(20)19(18)3/h4-10,18H,11H2,1-3H3
InChIKey ITWOAZVISFAPMM-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508575
Molecular Weight 281.355 g/mol
Quality 91
Reported Formula C18H19O2N
SMILES CC=1C=C(C=C(C1)COC1N(C(C2=C1C=CC=C2)=O)C)C
SPLASH splash10-0002-0900000000-994f6506693276f53475
Source of Spectrum ACI-55-SM22-8i (DOI: 10.1002/anie.201508575)
Wiley ID 1895077