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3-Hydroxy-3-[2-(morpholin-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-2-carboxylic Acid
SpectraBase Compound ID LGsmLytuQ8z
InChI InChI=1S/C18H16F3N3O5/c19-18(20,21)13-11(9-22-16(23-13)24-5-7-28-8-6-24)17(27)10-3-1-2-4-12(10)29-14(17)15(25)26/h1-4,9,14,27H,5-8H2,(H,25,26)
InChIKey DBLDYLMQIYVHTB-UHFFFAOYSA-N
Mol Weight 411.34 g/mol
Molecular Formula C18H16F3N3O5
Exact Mass 411.104205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1HUMQusIF6
Name 3-Hydroxy-3-[2-(morpholin-4-yl)-4-(trifluoromethyl)pyrimidin-5-yl]-2,3-dihydro-1-benzofuran-2-carboxylic Acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16F3N3O5
InChI InChI=1S/C18H16F3N3O5/c19-18(20,21)13-11(9-22-16(23-13)24-5-7-28-8-6-24)17(27)10-3-1-2-4-12(10)29-14(17)15(25)26/h1-4,9,14,27H,5-8H2,(H,25,26)
InChIKey DBLDYLMQIYVHTB-UHFFFAOYSA-N
Molecular Weight 411.337 g/mol
SMILES OC(C1C(c2c(O1)cccc2)(c1c(nc(nc1)N1CCOCC1)C(F)(F)F)O)=O
SPLASH splash10-0007-0029000000-472075fa28d48171476e
Source of Spectrum F4-41-3241-15
Wiley ID 1672820