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2-[5-(2,4-diketo-5-methyl-pyrimidin-1-yl)pentyl]isoindoline-1,3-quinone
SpectraBase Compound ID D2mgYCYgxf8
InChI InChI=1S/C18H19N3O4/c1-12-11-20(18(25)19-15(12)22)9-5-2-6-10-21-16(23)13-7-3-4-8-14(13)17(21)24/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,22,25)
InChIKey DEAZGCKUCIYWRR-UHFFFAOYSA-N
Mol Weight 341.37 g/mol
Molecular Formula C18H19N3O4
Exact Mass 341.137556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBT84Iq15y1
Name 2-[5-(2,4-diketo-5-methyl-pyrimidin-1-yl)pentyl]isoindoline-1,3-quinone
Alternate Name(s) 2-[5-(5-methyl-2,4-dioxo-1-pyrimidinyl)pentyl]isoindole-1,3-dione 2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentyl]isoindoline-1,3-dione 2-[5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentyl]isoindole-1,3-dione 2-[5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentyl]isoindole-1,3-dione
CAS Registry Number 103061-87-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N3O4
InChI InChI=1S/C18H19N3O4/c1-12-11-20(18(25)19-15(12)22)9-5-2-6-10-21-16(23)13-7-3-4-8-14(13)17(21)24/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,19,22,25)
InChIKey DEAZGCKUCIYWRR-UHFFFAOYSA-N
Molecular Weight 341.367 g/mol
SMILES N1C(C(=CN(C1=O)CCCCCN1C(c2ccccc2C1=O)=O)C)=O
SPLASH splash10-01ox-0709000000-53f0963a0e9cd6e882fe
Source of Spectrum Y-22-1038-12
Wiley ID 1335865