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3-(4-Methoxyphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate
SpectraBase Compound ID IqqGojeAVRF
InChI InChI=1S/C23H22F3NO5/c1-30-14-5-7-15(8-6-14)31-21-19(29)16-9-10-18(28)17(13-27-11-3-2-4-12-27)20(16)32-22(21)23(24,25)26/h5-10,28H,2-4,11-13H2,1H3
InChIKey UIIICUBQSNGPEX-UHFFFAOYSA-N
Mol Weight 449.43 g/mol
Molecular Formula C23H22F3NO5
Exact Mass 449.145007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 19ey2WlxicK
Name 3-(4-Methoxyphenoxy)-4-oxidanylidene-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate
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Formula C23H22F3NO5
InChI InChI=1S/C23H22F3NO5/c1-30-14-5-7-15(8-6-14)31-21-19(29)16-9-10-18(28)17(13-27-11-3-2-4-12-27)20(16)32-22(21)23(24,25)26/h5-10,28H,2-4,11-13H2,1H3
InChIKey UIIICUBQSNGPEX-UHFFFAOYSA-N
Molecular Weight 449.426 g/mol
SMILES Oc1c(c2OC(=C(C(=O)c2cc1)Oc1ccc(cc1)OC)C(F)(F)F)CN1CCCCC1
SPLASH splash10-03l0-5942000000-f4ff7f19c5f4aea1e91e
Synonyms 3-(4-Methoxyphenoxy)-4-oxo-8-(1-piperidin-1-iumylmethyl)-2-(trifluoromethyl)-1-benzopyran-7-olate 3-(4-Methoxyphenoxy)-4-oxo-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate 3-(4-Methoxyphenoxy)-7-oxidanyl-8-(piperidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one 4-keto-3-(4-methoxyphenoxy)-8-(piperidin-1-ium-1-ylmethyl)-2-(trifluoromethyl)chromen-7-olate 7-Hydroxy-3-(4-methoxyphenoxy)-8-(1-piperidinylmethyl)-2-(trifluoromethyl)-1-benzopyran-4-one 7-Hydroxy-3-(4-methoxyphenoxy)-8-(1-piperidylmethyl)-2-(trifluoromethyl)chromen-4-one 7-Hydroxy-3-(4-methoxyphenoxy)-8-(piperidinomethyl)-2-(trifluoromethyl)chromone
Wiley ID 1452832