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4-Methyl-6-[oxo-[4-(trifluoromethoxy)anilino]methyl]-1-cyclohex-3-enecarboxylic acid
SpectraBase Compound ID LKxzn3qwpxo
InChI InChI=1S/C16H16F3NO4/c1-9-2-7-12(15(22)23)13(8-9)14(21)20-10-3-5-11(6-4-10)24-16(17,18)19/h2-6,12-13H,7-8H2,1H3,(H,20,21)(H,22,23)
InChIKey XBNFYFUGSSJTKU-UHFFFAOYSA-N
Mol Weight 343.3 g/mol
Molecular Formula C16H16F3NO4
Exact Mass 343.103142 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ZlBlIIY5pW
Name 4-Methyl-6-[oxo-[4-(trifluoromethoxy)anilino]methyl]-1-cyclohex-3-enecarboxylic acid
Alternate Name(s) 4-Methyl-6-[[4-(trifluoromethoxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid 4-Methyl-6-[[4-(trifluoromethyloxy)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F3NO4
InChI InChI=1S/C16H16F3NO4/c1-9-2-7-12(15(22)23)13(8-9)14(21)20-10-3-5-11(6-4-10)24-16(17,18)19/h2-6,12-13H,7-8H2,1H3,(H,20,21)(H,22,23)
InChIKey XBNFYFUGSSJTKU-UHFFFAOYSA-N
Molecular Weight 343.302 g/mol
SMILES N(c1ccc(cc1)OC(F)(F)F)C(C1CC(=CCC1C(O)=O)C)=O
SPLASH splash10-002f-9400000000-f6a5fda0cb16eabca9d8
Wiley ID 1445173