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4-(4-Methylphenyl)-imino-5,5,5-trifluoro-2-penten-2-oic acid ethyl ester
SpectraBase Compound ID BBnO7z3o9lY
InChI InChI=1S/C13H12F3NO2/c1-9-3-5-10(6-4-9)17-11(13(14,15)16)7-8-12(18)19-2/h3-8H,1-2H3/b8-7+,17-11+
InChIKey LTHATKSQGSVCQD-NXFWIZADSA-N
Mol Weight 271.24 g/mol
Molecular Formula C13H12F3NO2
Exact Mass 271.082013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B60yamUBLLQ
Name 4-(4-Methylphenyl)-imino-5,5,5-trifluoro-2-penten-2-oic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12F3NO2
InChI InChI=1S/C13H12F3NO2/c1-9-3-5-10(6-4-9)17-11(13(14,15)16)7-8-12(18)19-2/h3-8H,1-2H3/b8-7+,17-11+
InChIKey LTHATKSQGSVCQD-NXFWIZADSA-N
Literature Reference DOI 10.1002/cjoc.20010191217
Molecular Weight 271.239 g/mol
SMILES c1cc(ccc1\N=C\(C(F)(F)F)\C=C\C(OC)=O)C
SPLASH splash10-0w2c-2090000000-e4f63645937a7ed21c8a
Source of Spectrum CJC-19-1265-3f
Synonyms (2E,4E)-methyl 5,5,5-trifluoro-4-(p-tolylimino)pent-2-enoate
Wiley ID 1773560