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5-[(1H-Benzo[d]imidazol-1-yl)methyl]-2-thioxodihydropyramidine-4,6(1H,5H)-dione
SpectraBase Compound ID DiyrlgxhzH0
InChI InChI=1S/C12H10N4O2S/c17-10-7(11(18)15-12(19)14-10)5-16-6-13-8-3-1-2-4-9(8)16/h1-4,6-7H,5H2,(H2,14,15,17,18,19)
InChIKey OHFLPWYPWMLEJL-UHFFFAOYSA-N
Mol Weight 274.3 g/mol
Molecular Formula C12H10N4O2S
Exact Mass 274.052447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0ERGbfUVuh
Name 5-[(1H-Benzo[d]imidazol-1-yl)methyl]-2-thioxodihydropyramidine-4,6(1H,5H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 274.052446750 u
Formula C12H10N4O2S
InChI InChI=1S/C12H10N4O2S/c17-10-7(11(18)15-12(19)14-10)5-16-6-13-8-3-1-2-4-9(8)16/h1-4,6-7H,5H2,(H2,14,15,17,18,19)
InChIKey OHFLPWYPWMLEJL-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 274.298 g/mol
SMILES N1C(NC(C(CN2C=NC3=C2C=CC=C3)C1=O)=O)=S
SPLASH splash10-0r01-5950000000-88e057f4e63749307a48
Source of Spectrum APC-356-SM13-2d (DOI: 10.1002/ardp.202200433)
Wiley ID 1909791