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3-{3-[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl}-propionic acid ethyl ester
SpectraBase Compound ID LFsJ8dZ0c1h
InChI InChI=1S/C20H21N3O6/c1-2-29-17(25)9-13-21-12-8-16(24)22(20(21)28)10-5-11-23-18(26)14-6-3-4-7-15(14)19(23)27/h3-4,6-8,12H,2,5,9-11,13H2,1H3
InChIKey ALJDUGVMYKCAMC-UHFFFAOYSA-N
Mol Weight 399.4 g/mol
Molecular Formula C20H21N3O6
Exact Mass 399.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IU4xn9E4baC
Name 3-{3-[3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-propyl]-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl}-propionic acid ethyl ester
Appearance Colourless crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21N3O6
InChI InChI=1S/C20H21N3O6/c1-2-29-17(25)9-13-21-12-8-16(24)22(20(21)28)10-5-11-23-18(26)14-6-3-4-7-15(14)19(23)27/h3-4,6-8,12H,2,5,9-11,13H2,1H3
InChIKey ALJDUGVMYKCAMC-UHFFFAOYSA-N
Instrument Name Shimadzu GC MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.c19
Molecular Weight 399.403 g/mol
SMILES C1(N(C(N(C=C1)CCC(OCC)=O)=O)CCCN1C(c2c(C1=O)cccc2)=O)=O
SPLASH splash10-0kea-9350000000-757b49b7833609b2edef
Source of Spectrum ARK-2006-168-5b
Wiley ID 1871163