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2-[6-(2,4-diketo-5-methyl-pyrimidin-1-yl)hexyl]isoindoline-1,3-quinone
SpectraBase Compound ID N1N5OdsUm
InChI InChI=1S/C19H21N3O4/c1-13-12-21(19(26)20-16(13)23)10-6-2-3-7-11-22-17(24)14-8-4-5-9-15(14)18(22)25/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,20,23,26)
InChIKey OGEUFBIFJZPNJI-UHFFFAOYSA-N
Mol Weight 355.39 g/mol
Molecular Formula C19H21N3O4
Exact Mass 355.153206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rGjzwhBqzN
Name 2-[6-(2,4-diketo-5-methyl-pyrimidin-1-yl)hexyl]isoindoline-1,3-quinone
CAS Registry Number 103061-88-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H21N3O4
InChI InChI=1S/C19H21N3O4/c1-13-12-21(19(26)20-16(13)23)10-6-2-3-7-11-22-17(24)14-8-4-5-9-15(14)18(22)25/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H,20,23,26)
InChIKey OGEUFBIFJZPNJI-UHFFFAOYSA-N
Molecular Weight 355.394 g/mol
SMILES N1C(C(=CN(C1=O)CCCCCCN1C(c2ccccc2C1=O)=O)C)=O
SPLASH splash10-0a4j-0519000000-b96d7aadb4b4097a407a
Source of Spectrum Y-22-1038-12
Synonyms 2-[6-(5-methyl-2,4-dioxo-1-pyrimidinyl)hexyl]isoindole-1,3-dione 2-[6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)hexyl]isoindoline-1,3-dione 2-[6-(5-methyl-2,4-dioxopyrimidin-1-yl)hexyl]isoindole-1,3-dione 2-[6-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]hexyl]isoindole-1,3-dione
Wiley ID 1345231