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1-(4-Carboxybutyl)-1,3,5-triazine-2,4,6-trione
SpectraBase Compound ID IFA4KvvMvQP
InChI InChI=1S/C8H11N3O5/c12-5(13)3-1-2-4-11-7(15)9-6(14)10-8(11)16/h1-4H2,(H,12,13)(H2,9,10,14,15,16)
InChIKey XETZPIPJYIKFAG-UHFFFAOYSA-N
Mol Weight 229.19 g/mol
Molecular Formula C8H11N3O5
Exact Mass 229.06987 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAHZAbdQyIr
Name 1-(4-CARBOXYBUTYL)-1,3,5-TRIAZINE-2,4,6-TRIONE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C8H11N3O5
InChI InChI=1S/C8H11N3O5/c12-5(13)3-1-2-4-11-7(15)9-6(14)10-8(11)16/h1-4H2,(H,12,13)(H2,9,10,14,15,16)
InChIKey XETZPIPJYIKFAG-UHFFFAOYSA-N
Literature Reference Author M.MASCAL,J.HANSEN,P.S.FALLON,A.J.BLAKE,B.R.HEYWOOD,M.H.MOORE ,J.P.TURKENBURG
Literature Reference Citation CHEM.EUR.J.,5,381(1999)
Literature Reference DOI 10.1002/(sici)1521-3765(19990104)5:1<381::aid-chem381>3.0.co;2-t
Molecular Weight 229.192 g/mol
Solvent DMSO-D6
Source File Reference UWMP15035