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1,1,1-Trichloro-4-(4-nitrophenyl)but-(E)-3-en-2-one
SpectraBase Compound ID Hr79xDzNmi8
InChI InChI=1S/C10H6Cl3NO3/c11-10(12,13)9(15)6-3-7-1-4-8(5-2-7)14(16)17/h1-6H/b6-3+
InChIKey RIAJYRZHDXIIDN-ZZXKWVIFSA-N
Mol Weight 294.52 g/mol
Molecular Formula C10H6Cl3NO3
Exact Mass 292.941326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FDr2vsWWzj2
Name 1,1,1-Trichloro-4-(4-nitrophenyl)but-(E)-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H6Cl3NO3
InChI InChI=1S/C10H6Cl3NO3/c11-10(12,13)9(15)6-3-7-1-4-8(5-2-7)14(16)17/h1-6H/b6-3+
InChIKey RIAJYRZHDXIIDN-ZZXKWVIFSA-N
Literature Reference DOI 10.1002/adsc.200900041
Molecular Weight 294.521 g/mol
SMILES C(C(\C=C\c1ccc(cc1)[N+](=O)[O-])=O)(Cl)(Cl)Cl
SPLASH splash10-004i-1900000000-a91cb525e1e21e06956c
Source of Spectrum ASC-351-1685/SM13-3g
Synonyms (E)-1,1,1-trichloro-4-(4-nitrophenyl)but-3-en-2-one (E)-1,1,1-trichloro-4-(4-nitrophenyl)-3-buten-2-one (E)-1,1,1-tris(chloranyl)-4-(4-nitrophenyl)but-3-en-2-one
Wiley ID 1763213