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5-[(2-Methyl-1H-benzo[d]imidazol-1-yl)methyl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
SpectraBase Compound ID JyJVfaWmdhC
InChI InChI=1S/C13H12N4O2S/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 XPLFXOKBLAZGEK-UHFFFAOYSA-N
Mol Weight 288.32 g/mol
Molecular Formula C13H12N4O2S
Exact Mass 288.068097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3v7iZymJV0k
Name 5-[(2-Methyl-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 288.068096814 u
Formula C13H12N4O2S
InChI InChI=1S/C13H12N4O2S/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 XPLFXOKBLAZGEK-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 288.325 g/mol
SMILES N1C(NC(C(CN2C(=NC3=C2C=CC=C3)C)C1=O)=O)=S
SPLASH splash10-0fs9-9630000000-ede74d92cc868c8381fe
Source of Spectrum APC-356-SM15-2e (DOI: 10.1002/ardp.202200433)
Wiley ID 1909792