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5-[(2-Methyl-1H-benzo[d]imidazol-1-yl)methyl]pyrimidine-2,4,6(1H,3H,5H)-trione
SpectraBase Compound ID K3DRGrq5DIV
InChI InChI=1S/C13H12N4O3/c1-7-14-9-4-2-3-5-10(9)17(7)6-8-11(18)15-13(20)16-12(8)19/h2-5,8H,6H2,1H3,(H2,15,16,18,19,20)
InChIKey HAFLQFSSQHXULR-UHFFFAOYSA-N
Mol Weight 272.26 g/mol
Molecular Formula C13H12N4O3
Exact Mass 272.09094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Ksr0MrWkTn
Name 5-[(2-Methyl-1H-benzo[d]imidazol-1-yl)methyl]pyrimidine-2,4,6(1H,3H,5H)-trione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.090940259 u
Formula C13H12N4O3
InChI InChI=1S/C13H12N4O3/c1-7-14-9-4-2-3-5-10(9)17(7)6-8-11(18)15-13(20)16-12(8)19/h2-5,8H,6H2,1H3,(H2,15,16,18,19,20)
InChIKey HAFLQFSSQHXULR-UHFFFAOYSA-N
Instrument Name Shimadzu GC/ MS-QP 2010 plus or Thermo scientific ISQ LT
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202200433
Molecular Weight 272.264 g/mol
Quality 646
SMILES N1C(NC(C(CN2C(C)=NC3=C2C=CC=C3)C1=O)=O)=O
SPLASH splash10-0zgi-9220000000-3e060098c8b31e97c523
Source of Spectrum APC-356-SM8-2b (DOI: 10.1002/ardp.202200433)
Wiley ID 1909789