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5-[2-(2-Methyl-1H-benzo[d]imidazol-1-yl)-2-oxoethyl]-2-thioxodihydro-pyrimidine-4,6(1H,5H)-dione
SpectraBase Compound ID 2xNHTm9Sx11
InChI InChI=1S/C14H12N4O3S/c1-7-15-9-4-2-3-5-10(9)18(7)11(19)6-8-12(20)16-14(22)17-13(8)21/h2-5,8H,6H2,1H3,(H2,16,17,20,21,22)
InChIKey GOJAPEJIHWSNRZ-UHFFFAOYSA-N
Mol Weight 316.33 g/mol
Molecular Formula C14H12N4O3S
Exact Mass 316.063011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RN1kzJ80t8
Name 5-[2-(2-Methyl-1H-benzo[d]imidazol-1-yl)-2-oxoethyl]-2-thioxodihydro-pyrimidine-4,6(1H,5H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 316.063011433 u
Formula C14H12N4O3S
InChI InChI=1S/C14H12N4O3S/c1-7-15-9-4-2-3-5-10(9)18(7)11(19)6-8-12(20)16-14(22)17-13(8)21/h2-5,8H,6H2,1H3,(H2,16,17,20,21,22)
InChIKey GOJAPEJIHWSNRZ-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
SMILES N1C(NC(C(CC(N2C(C)=NC3=C2C=CC=C3)=O)C1=O)=O)=S
SPLASH splash10-0910-9231000000-209e8272e935dcedfc06
Source of Spectrum APC-356-SM44-5e (DOI: 10.1002/ardp.202200433)
Wiley ID 1909804