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5-[(5-Nitro-1H-indol-3-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
SpectraBase Compound ID AdTIpOyuK8u
InChI InChI=1S/C13H8N4O5/c18-11-9(12(19)16-13(20)15-11)3-6-5-14-10-2-1-7(17(21)22)4-8(6)10/h1-5,14H,(H2,15,16,18,19,20)
InChIKey PDFSTUQCMDBHMI-UHFFFAOYSA-N
Mol Weight 300.23 g/mol
Molecular Formula C13H8N4O5
Exact Mass 300.049469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GyUuq5zhvou
Name 5-[(5-Nitro-1H-indol-3-yl)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CAS Registry Number 349498-72-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8N4O5
InChI InChI=1S/C13H8N4O5/c18-11-9(12(19)16-13(20)15-11)3-6-5-14-10-2-1-7(17(21)22)4-8(6)10/h1-5,14H,(H2,15,16,18,19,20)
InChIKey PDFSTUQCMDBHMI-UHFFFAOYSA-N
Molecular Weight 300.230 g/mol
SMILES N1C(NC(C(=Cc2c[nH]c3ccc(cc23)N(=O)=O)C1=O)=O)=O
SPLASH splash10-0006-9400000000-19a197840bf1a89f6ea7
Source of Spectrum AD-0-2532-0
Synonyms 5-[(5-nitro-1H-indol-3-yl)methylene]barbituric acid 5-[(5-nitro-1H-indol-3-yl)methylene]hexahydropyrimidine-2,4,6-trione 5-[(5-nitro-1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione Pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(5-nitro-3-indolylmethylene)-
Wiley ID 1428981