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7-(4-[1-(Benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid

View entire compound with spectra: 2 MS (GC)

7-(4-[1-(Benzoylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-1-piperazinyl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid
SpectraBase Compound ID F3Jmb78RSed
InChI InChI=1S/C27H23F7N4O4/c28-19-12-17-20(38(16-6-7-16)14-18(22(17)39)24(41)42)13-21(19)36-8-10-37(11-9-36)25(26(29,30)31,27(32,33)34)35-23(40)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11H2,(H,35,40)(H,41,42)
InChIKey VFVHZZMEHYNHJD-UHFFFAOYSA-N
Mol Weight 600.49 g/mol
Molecular Formula C27H23F7N4O4
Exact Mass 600.160752 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GwjxKLZYUVg
Name 7-{4-[1-BENZAMIDO-2,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)ETHYL]-1-
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C27H23F7N4O4
InChI InChI=1S/C27H23F7N4O4/c28-19-12-17-20(38(16-6-7-16)14-18(22(17)39)24(41)42)13-21(19)36-8-10-37(11-9-36)25(26(29,30)31,27(32,33)34)35-23(40)15-4-2-1-3-5-15/h1-5,12-14,16H,6-11H2,(H,35,40)(H,41,42)
InChIKey VFVHZZMEHYNHJD-UHFFFAOYSA-N
Molecular Weight 600.1602
SMILES N(C(c1ccccc1)=O)C(N1CCN(c2c(cc3C(C(C(O)=O)=CN(c3c2)C2CC2)=O)F)CC1)(C(F)(F)F)C(F)(F)F
SPLASH splash10-052r-9682000000-64bd79a73722c012734c
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany