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N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-nitrobenzamide
SpectraBase Compound ID SBvmqBcQfH
InChI InChI=1S/C14H9F3N4O4/c1-7-10(6-18)13(12(23)19-7,14(15,16)17)20-11(22)8-3-2-4-9(5-8)21(24)25/h2-5H,1H3,(H,19,23)(H,20,22)
InChIKey SHODZJJEQKCIHA-UHFFFAOYSA-N
Mol Weight 354.25 g/mol
Molecular Formula C14H9F3N4O4
Exact Mass 354.057589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgBYZv7udWQ
Name N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-2,3-dihydro-1H-pyrrol-3-yl]-3-nitrobenzamide
Alternate Name(s) N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3-nitrobenzamide N-[4-cyano-5-methyl-2-oxo-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3-nitro-benzamide N-[4-cyano-5-methyl-2-oxidanylidene-3-(trifluoromethyl)-1H-pyrrol-3-yl]-3-nitro-benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H9F3N4O4
InChI InChI=1S/C14H9F3N4O4/c1-7-10(6-18)13(12(23)19-7,14(15,16)17)20-11(22)8-3-2-4-9(5-8)21(24)25/h2-5H,1H3,(H,19,23)(H,20,22)
InChIKey SHODZJJEQKCIHA-UHFFFAOYSA-N
Molecular Weight 354.245 g/mol
SMILES N1C(C(C(C#N)=C1C)(C(F)(F)F)NC(=O)c1cc(ccc1)N(=O)=O)=O
SPLASH splash10-0udi-8900000000-7041e6526d1b35ddf54f
Source of Spectrum IY-2-4966-1
Wiley ID 1657644