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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpJltqohMz0
Name 1-(4-Carboxybutyl)-1,3,5-triazine-2,4,6-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 229.192 g/mol
SMILES N1C(NC(N(CCCCC(=O)O)C1=O)=O)=O
SPLASH splash10-001i-0900000000-f579d333f95e4d8b6df2
Source of Spectrum QE-5-383-2
Synonyms 5-(2,4,6-trioxotetrahydro-1,3,5-triazin-1(2H)-yl)pentanoic acid
Wiley ID 843889