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5-[(2-Phenyl-1H-benzo[d]imidazol-1-yl)methyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
SpectraBase Compound ID 5aaRGIzg8aa
InChI InChI=1S/C18H14N4O2S/c23-16-12(17(24)21-18(25)20-16)10-22-14-9-5-4-8-13(14)19-15(22)11-6-2-1-3-7-11/h1-9,12H,10H2,(H2,20,21,23,24,25)
InChIKey BBVSEIBQMBOYHB-UHFFFAOYSA-N
Mol Weight 350.4 g/mol
Molecular Formula C18H14N4O2S
Exact Mass 350.083747 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYoxrLc6XBI
Name 5-[(2-Phenyl-1H-benzo[d]imidazol-1-yl)methyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 350.083746879 u
Formula C18H14N4O2S
InChI InChI=1S/C18H14N4O2S/c23-16-12(17(24)21-18(25)20-16)10-22-14-9-5-4-8-13(14)19-15(22)11-6-2-1-3-7-11/h1-9,12H,10H2,(H2,20,21,23,24,25)
InChIKey BBVSEIBQMBOYHB-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 350.396 g/mol
Quality 45
SMILES N1C(NC(C(CN2C(=NC3=C2C=CC=C3)C2=CC=CC=C2)C1=O)=O)=S
SPLASH splash10-0a4i-6901000000-fc99295616871a6abf32
Source of Spectrum APC-356-SM17-2f (DOI: 10.1002/ardp.202200433)
Wiley ID 1909793