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2(1H)-Pyrimidinone, 4-[[(4-nitrophenyl)methyl]thio]-
SpectraBase Compound ID 1ugoV2zIQ5F
InChI InChI=1S/C11H9N3O3S/c15-11-12-6-5-10(13-11)18-7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKey FAXFFBLULXSLOJ-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 L6A3vgfjhme
Name 2(1H)-Pyrimidinone, 4-[[(4-nitrophenyl)methyl]thio]-
CAS Registry Number 74195-59-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3O3S
InChI InChI=1S/C11H9N3O3S/c15-11-12-6-5-10(13-11)18-7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKey FAXFFBLULXSLOJ-UHFFFAOYSA-N
Molecular Weight 263.271 g/mol
SMILES N1C=CC(=NC1=O)SCc1ccc(N(=O)=O)cc1
SPLASH splash10-03fr-3690000000-a249cb90878b01c2be3d
Source of Spectrum 0-16-155-4
Synonyms 4-p-nitrobenzylthiouracil 4-[(4-nitrobenzyl)sulfanyl]-2(1H)-pyrimidinone
Wiley ID 1266662