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1-Cyclopropyl-6-fluoro-7-(4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
SpectraBase Compound ID 1FFxoRiGAkQ
InChI InChI=1S/C27H24FN3O5S/c28-22-14-20-23(31(18-8-9-18)16-21(26(20)32)27(33)34)15-24(22)29-10-12-30(13-11-29)37(35,36)25-7-3-5-17-4-1-2-6-19(17)25/h1-7,14-16,18H,8-13H2,(H,33,34)
InChIKey SQGQWYBEUJTSBU-UHFFFAOYSA-N
Mol Weight 521.56 g/mol
Molecular Formula C27H24FN3O5S
Exact Mass 521.14207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5tdWiziTJ6S
Name 1-Cyclopropyl-6-fluoro-7-(4-(naphthalen-1-ylsulfonyl)piperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Alternate Name(s) 1-cyclopropyl-6-fluoro-7-[4-(1-naphthalenylsulfonyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid 1-cyclopropyl-6-fluoro-7-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid 1-cyclopropyl-6-fluoro-7-[4-(1-naphthylsulfonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid 1-cyclopropyl-6-fluoranyl-7-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid
Comments Less than 3 mono-isotopic peaks
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Formula C27H24FN3O5S
InChI InChI=1S/C27H24FN3O5S/c28-22-14-20-23(31(18-8-9-18)16-21(26(20)32)27(33)34)15-24(22)29-10-12-30(13-11-29)37(35,36)25-7-3-5-17-4-1-2-6-19(17)25/h1-7,14-16,18H,8-13H2,(H,33,34)
InChIKey SQGQWYBEUJTSBU-UHFFFAOYSA-N
Molecular Weight 521.563 g/mol
SMILES OC(C=1C(c2cc(c(cc2N(C1)C1CC1)N1CCN(S(c2c3c(cccc3)ccc2)(=O)=O)CC1)F)=O)=O
SPLASH splash10-00di-0000090000-cf6e9a5aef9fd1e7e970
Source of Spectrum F2-46-5494-2b
Wiley ID 1690223