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5-[2-Oxo-2-(2-phenyl-1H-benzo[d]imidazol-1-yl)ethyl]-2-thioxodihydro-pyrimidine-4,6(1H,5H)-dione
SpectraBase Compound ID 42Nb2lJC11R
InChI InChI=1S/C19H14N4O3S/c24-15(10-12-17(25)21-19(27)22-18(12)26)23-14-9-5-4-8-13(14)20-16(23)11-6-2-1-3-7-11/h1-9,12H,10H2,(H2,21,22,25,26,27)
InChIKey QDJNEIIWMHXNIX-UHFFFAOYSA-N
Mol Weight 378.41 g/mol
Molecular Formula C19H14N4O3S
Exact Mass 378.078661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9byy3ssepYG
Name 5-[2-Oxo-2-(2-phenyl-1H-benzo[d]imidazol-1-yl)ethyl]-2-thioxodihydro-pyrimidine-4,6(1H,5H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.078661498 u
Formula C19H14N4O3S
InChI InChI=1S/C19H14N4O3S/c24-15(10-12-17(25)21-19(27)22-18(12)26)23-14-9-5-4-8-13(14)20-16(23)11-6-2-1-3-7-11/h1-9,12H,10H2,(H2,21,22,25,26,27)
InChIKey QDJNEIIWMHXNIX-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 378.406 g/mol
SMILES N1C(NC(C(CC(=O)N2C(=NC3=C2C=CC=C3)C2=CC=CC=C2)C1=O)=O)=S
SPLASH splash10-009x-1495000000-f0b862d094f8786a1371
Source of Spectrum APC-356-SM45-5f (DOI: 10.1002/ardp.202200433)
Wiley ID 1909805