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N-(Pyrimidin-2-yl)-3,4,5,6-tetrahydro-phthalimide
SpectraBase Compound ID 8NTyqxu0sbc
InChI InChI=1S/C12H11N3O2/c16-10-8-4-1-2-5-9(8)11(17)15(10)12-13-6-3-7-14-12/h3,6-7H,1-2,4-5H2
InChIKey OVAVNVUPTLXREE-UHFFFAOYSA-N
Mol Weight 229.24 g/mol
Molecular Formula C12H11N3O2
Exact Mass 229.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8r7k7uM63Pj
Name N-(Pyrimidin-2-yl)-3,4,5,6-tetrahydro-phthalimide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11N3O2
InChI InChI=1S/C12H11N3O2/c16-10-8-4-1-2-5-9(8)11(17)15(10)12-13-6-3-7-14-12/h3,6-7H,1-2,4-5H2
InChIKey OVAVNVUPTLXREE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201190115
Molecular Weight 229.239 g/mol
SMILES C1(=O)C2=C(C(=O)N1c1ncccn1)CCCC2
SPLASH splash10-004i-2290000000-bb6ab649e8097601009b
Source of Spectrum CJC-29-518-III_4
Synonyms 2-(pyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione 2-(2-pyrimidinyl)-4,5,6,7-tetrahydroisoindole-1,3-dione 2-Pyrimidin-2-yl-4,5,6,7-tetrahydroisoindole-1,3-dione
Wiley ID 1772541