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(2Z)-3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-2-propenoic acid
SpectraBase Compound ID BJx7drGoHia
InChI InChI=1S/C16H9BrF3NO4/c17-11-4-1-9(2-5-11)7-13(15(22)23)12-6-3-10(16(18,19)20)8-14(12)21(24)25/h1-8H,(H,22,23)/b13-7-
InChIKey BPSSBULAPGLOHN-QPEQYQDCSA-N
Mol Weight 416.15 g/mol
Molecular Formula C16H9BrF3NO4
Exact Mass 414.966705 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eg0NdxGMitI
Name (2Z)-3-(4-Bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-2-propenoic acid
CAS Registry Number 35318-47-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H9BrF3NO4
InChI InChI=1S/C16H9BrF3NO4/c17-11-4-1-9(2-5-11)7-13(15(22)23)12-6-3-10(16(18,19)20)8-14(12)21(24)25/h1-8H,(H,22,23)/b13-7-
InChIKey BPSSBULAPGLOHN-QPEQYQDCSA-N
Molecular Weight 416.150 g/mol
SMILES OC(=O)\C(c1c(N(=O)=O)cc(cc1)C(F)(F)F)=C/c1ccc(Br)cc1
SPLASH splash10-000i-3947000000-c4809a29e42443eec02f
Source of Spectrum NP-14-7729-0
Synonyms .alpha.-[2-Nitro-4-trifluoromethylphenyl]-4-bromocinnamic acid (Z)-3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]-2-propenoic acid (Z)-3-(4-bromophenyl)-2-[2-nitro-4-(trifluoromethyl)phenyl]prop-2-enoic acid
Wiley ID 1111982