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1-cyclopropyl-6-fluoranyl-7-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-methylbutanoylamino)propan-2-yl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

View entire compound with spectra: 2 MS (GC)

1-cyclopropyl-6-fluoranyl-7-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-(3-methylbutanoylamino)propan-2-yl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid
SpectraBase Compound ID 5bQcwDQPEXo
InChI InChI=1S/C25H27F7N4O4/c1-13(2)9-20(37)33-23(24(27,28)29,25(30,31)32)35-7-5-34(6-8-35)19-11-18-15(10-17(19)26)21(38)16(22(39)40)12-36(18)14-3-4-14/h10-14H,3-9H2,1-2H3,(H,33,37)(H,39,40)
InChIKey YHSVETRWDRQBDG-UHFFFAOYSA-N
Mol Weight 580.5 g/mol
Molecular Formula C25H27F7N4O4
Exact Mass 580.192053 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1htbEO3ohH4
Name 1-CYCLOPROPYL-6-FLUORO-4(1H)-OXO-7-{4-[2,2,2-TRIFLUORO-1-ISOVALERAMIDO-
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C25H27F7N4O4
InChI InChI=1S/C25H27F7N4O4/c1-13(2)9-20(37)33-23(24(27,28)29,25(30,31)32)35-7-5-34(6-8-35)19-11-18-15(10-17(19)26)21(38)16(22(39)40)12-36(18)14-3-4-14/h10-14H,3-9H2,1-2H3,(H,33,37)(H,39,40)
InChIKey YHSVETRWDRQBDG-UHFFFAOYSA-N
Molecular Weight 580.1914
SMILES N(C(CC(C)C)=O)C(N1CCN(c2c(cc3C(C(C(O)=O)=CN(c3c2)C2CC2)=O)F)CC1)(C(F)(F)F)C(F)(F)F
SPLASH splash10-052o-9220000000-2550dc8bd3ec6588b598
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany