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4-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
SpectraBase Compound ID EWruq3DtrGJ
InChI InChI=1S/C14H8F3N3O5/c15-14(16,17)12-4-8(18-13(21)19-12)2-1-7-3-10-11(25-6-24-10)5-9(7)20(22)23/h1-5H,6H2,(H,18,19,21)/b2-1+
InChIKey SXEBXHPBLPTMGI-OWOJBTEDSA-N
Mol Weight 355.23 g/mol
Molecular Formula C14H8F3N3O5
Exact Mass 355.041605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6tQuoBUqwOA
Name 4-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)ethenyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Alternate Name(s) 4-[(E)-2-(6-nitro-1,3-benzodioxol-5-yl)vinyl]-6-(trifluoromethyl)-1H-pyrimidin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H8F3N3O5
InChI InChI=1S/C14H8F3N3O5/c15-14(16,17)12-4-8(18-13(21)19-12)2-1-7-3-10-11(25-6-24-10)5-9(7)20(22)23/h1-5H,6H2,(H,18,19,21)/b2-1+
InChIKey SXEBXHPBLPTMGI-OWOJBTEDSA-N
Molecular Weight 355.229 g/mol
SMILES N1C(=CC(=NC1=O)C(F)(F)F)\C=C\c1c(N(=O)=O)cc2c(c1)OCO2
SPLASH splash10-0pb9-9622000000-bc1b3c7543ae816415ad
Wiley ID 1452497