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2-[(4-Nitrobenzyl)sulfanyl]-4(3H)-pyrimidinone
SpectraBase Compound ID LPEX6ucKmuh
InChI InChI=1S/C11H9N3O3S/c15-10-5-6-12-11(13-10)18-7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKey UNSOILCRMHBRPW-UHFFFAOYSA-N
Mol Weight 263.27 g/mol
Molecular Formula C11H9N3O3S
Exact Mass 263.036462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dfxG648LKo
Name 2-[(4-Nitrobenzyl)sulfanyl]-4(3H)-pyrimidinone
CAS Registry Number 78932-23-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3O3S
InChI InChI=1S/C11H9N3O3S/c15-10-5-6-12-11(13-10)18-7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKey UNSOILCRMHBRPW-UHFFFAOYSA-N
Molecular Weight 263.271 g/mol
SMILES N1C(C=CN=C1SCc1ccc(N(=O)=O)cc1)=O
SPLASH splash10-03xv-9220000000-9df36cd4a011bc70a8ee
Source of Spectrum AD-0-2532-0
Synonyms 2-[(4-nitrobenzyl)thio]-1H-pyrimidin-6-one 2-[(4-nitrophenyl)methylsulfanyl]-1H-pyrimidin-6-one 2-[(4-nitrophenyl)methylthio]-1H-pyrimidin-6-one Pyrimidin-4(3H)-one, 2-(4-nitrobenzylthio)-
Wiley ID 1421852